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P-Toluic Acid

PubChem CID: 7470

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Compound Synonyms 4-Methylbenzoic acid, P-TOLUIC ACID, 99-94-5, 4-Toluic acid, p-Methylbenzoic acid, Benzoic acid, 4-methyl-, Crithminic acid, p-Toluylic acid, p-Carboxytoluene, para-Toluic acid, 4-Methyl-Benzoic Acid, Toluate, Toluenecarboxylic acid, NSC 2215, MFCD00002565, A26GBX5SSV, EINECS 202-803-3, BRN 0507600, DTXSID6021618, p-toluic-2,3,5,6-d4 acid, p-Tolylcarboxylic acid, CHEBI:36635, 4-Methyl benzoic acid, AI3-15627, NSC-2215, TOLUIC ACID, P-, P-TOLUIC ACID [MI], DTXCID801618, 1219798-71-6, Supported benzoic acid (100-200/2.5-3.0), 4-Methylbenzoic acid(Flakes or Chunks or Granular), p-toluicacid, p-methylbenzoate, p-toluenecarboxylate, 4MA, 4-MethylbenzoicAcid, UNII-A26GBX5SSV, pCarboxytoluene, Crithmic acid, pToluylic acid, rho-toluic acid, 4toluic acid, para toluic acid, pMethylbenzoic acid, 4methylbenzoic acid, 4-methylbenzic acid, pTolylcarboxylic acid, p-methyl benzoic acid, Benzoic acid, 4methyl, p-Toluic acid, 98%, Benzoic acid,4-methyl-, bmse000414, WLN: QVR D1, NCIOpen2_001271, SAMPL4, O2, SCHEMBL93638, 4-methylbenzenecarboxylic acid, CHEMBL21708, NSC2215, 2420-97-5 (cadmium salt), BDBM197303, p-Toluic acid, analytical standard, CS-D0602, Tox21_201091, STK498227, AKOS000119644, AC-3061, BS-3777, FT38107, CAS-99-94-5, NCGC00091128-01, NCGC00091128-02, NCGC00258643-01, HY-76547, SY003713, NS00005898, T0293, EN300-18325, C01454, D70680, p-Toluic acid, Vetec(TM) reagent grade, 98%, AB-131/40170882, Q1607905, Z57902424, F1679-0157, 4-Methylbenzoic acid, p-Toluylic acid, Crithminic acid, Toluenecarboxylic acid, 202-803-3
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 123.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P51580, Q16637, P00352, Q16236, Q60492, Q5BJF2
Iupac Name 4-methylbenzoic acid
Prediction Hob 1.0
Class Benzene and substituted derivatives
Target Id NPT2230, NPT93, NPT94
Xlogp 2.3
Superclass Benzenoids
Subclass Benzoic acids and derivatives
Molecular Formula C8H8O2
Prediction Swissadme 0.0
Inchi Key LPNBBFKOUUSUDB-UHFFFAOYSA-N
Fcsp3 0.125
Logs -2.621
Rotatable Bond Count 1.0
State Solid
Logd 1.548
Synonyms 4-Toluic acid, Crithminic acid, p-Carboxytoluene, p-Methylbenzoic acid, p-Toluylic acid, Para-toluic acid, Toluenecarboxylic acid, p-Toluate, p-Toluic acid, 4-Toluate, Crithminate, p-Methylbenzoate, p-Toluylate, Para-toluate, Toluenecarboxylate, 4-Methylbenzoate, 2420-97-5 (Cadmium salt), 4-Methyl-benzoic acid, Crithmic acid, Toluate, 4-Toluic acid, calcium salt, 4-Toluic acid, potassium salt, p-Toluenecarboxylate, 4-Toluic acid, cadmium salt, 4-Toluic acid, barium salt, 4-Toluic acid, zinc salt, 4-Methylbenzoic acid
Compound Name P-Toluic Acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 136.052
Formal Charge 0.0
Monoisotopic Mass 136.052
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 136.15
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Esol -2.49223
Inchi InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
Smiles CC1=CC=C(C=C1)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Benzoic acids

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Spicata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aloe (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aloe Abyssinica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aloe Ballyi (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Christianii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aloe Deltoideodonta (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Aloe Littoralis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aloe Marlothii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aloe Microstigma (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aloe Nobilis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aloe Perryi (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aloe Ruspoliana (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aloe Saponaria (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aloe Socotrina (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aloe Succotrina (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Amphorogyne Spicata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Austrotaxus Spicata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Cautleya Spicata (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Crataegus Cuneata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Crataegus Davisii (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Crataegus Maximowiczii (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Crataegus Monogyna (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Crataegus Oxyacantha (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Crataegus Pontica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Crataegus Rhipidophylla (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Crataegus Sanguinea (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Crataegus Sinaica (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Crataegus Songarica (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Crataegus Tanacetifolia (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Engelhardtia Spicata (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Entada Africana (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Euryale Ferox (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Indigofera Spicata (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Liatris Spicata (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Liriope Spicata (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Moullava Spicata (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference:
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