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2-Furoic acid

PubChem CID: 6919

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Compound Synonyms 2-FUROIC ACID, Furan-2-carboxylic acid, 88-14-2, 2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, FUROIC ACID, Furancarboxylic acid, alpha-Furoic acid, 2-furanoic acid, alpha-Furancarboxylic acid, 26447-28-9, Kyselina 2-furoova, Kyselina pyroslizova, .alpha.-Furoic acid, NSC 8842, .alpha.-Furancarboxylic acid, MFCD00003238, DTXSID6041420, CHEBI:30845, NSC-8842, P577F6494A, Kyselina 2-furoova [Czech], Kyselina pyroslizova [Czech], CCRIS 2157, NSC-58965, EINECS 201-803-0, EINECS 247-713-5, BRN 0110149, Pyromucate, Furoate, Furoica, furanoic acid, Furancarboxylate, alpha-Furoate, furic acid, beta-Furoate, 2-Furoic acid [per EINECS], AI3-16500, a-Furoate, b-Furoate, a-Furoic acid, b-Furoic acid, acido 2-furoico, beta-Furoic acid, UNII-P577F6494A, 2-Furanoate, a-Furancarboxylate, acide 2-furoique, b-Furancarboxylate, Furancarbonylic acid, beta-Furancarboxylate, Furan-2-carbonsaeure, alpha-Furancarboxylate, a-Furancarboxylic acid, b-Furancarboxylic acid, Furan-2-carboxylicacid, 2-Furanecarboxylic acid, 2-Furoic acid 98%, 2-furan carboxylic acid, beta-Furancarboxylic acid, furane-2-carboxylic acid, 2-Furoic acid, 98%, Furancarboxylic acid-(2), bmse000330, 2-Furoic acid (Standard), SCHEMBL24446, 5-18-06-00102 (Beilstein Handbook Reference), 2-FUROIC ACID [MI], CHEMBL1232797, DTXCID4021420, NSC8842, 2-Furoic acid, analytical standard, HY-W012946R, STR01019, WGC36563, Tox21_301128, BBL009679, s4864, STK256918, 2-FUROIC ACID [USP IMPURITY], AKOS000119036, CCG-266054, CS-W013662, FF14744, HY-W012946, PS-3380, CAS-88-14-2, NCGC00248301-01, NCGC00255027-01, DA-63636, F0081, NS00014683, EN300-19302, C01546, AB00375923-02, AC-907/25014051, Q2210953, F9995-1642, Z104473462, InChI=1/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 50.4
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Deep Smiles OC=O)cccco5
Heavy Atom Count 8.0
Classyfire Class Furans
Scaffold Graph Node Level C1CCOC1
Classyfire Subclass Furoic acid and derivatives
Isotope Atom Count 0.0
Molecular Complexity 99.8
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name furan-2-carboxylic acid
Prediction Hob 1.0
Class Furans
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 0.5
Superclass Organoheterocyclic compounds
Subclass Furoic acid and derivatives
Gsk 4 400 Rule True
Molecular Formula C5H4O3
Scaffold Graph Node Bond Level c1ccoc1
Prediction Swissadme 0.0
Inchi Key SMNDYUVBFMFKNZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -0.688
Rotatable Bond Count 1.0
State Solid
Logd 0.714
Synonyms 2-Carboxyfuran, 2-Furancarboxylic acid, 2-Furanoic acid, Acide 2-furoique, Acido 2-furoico, alpha-Furancarboxylic acid, alpha-Furoic acid, Furan-2-carbonsaeure, Pyromucic acid, 2-Furancarboxylate, 2-Furanoate, a-Furancarboxylate, a-Furancarboxylic acid, alpha-Furancarboxylate, Α-furancarboxylate, Α-furancarboxylic acid, a-Furoate, a-Furoic acid, alpha-Furoate, Α-furoate, Α-furoic acid, Pyromucate, 2-Furoate, b-Furancarboxylate, b-Furancarboxylic acid, b-Furoate, b-Furoic acid, beta-Furancarboxylate, beta-Furancarboxylic acid, beta-Furoate, beta-Furoic acid, Furancarboxylate, Furancarboxylic acid, Furoate, Furoic acid, Furan-3-carboxylic, 2-Furoic acid, sodium salt, Furan-2-ylacetate, Furan-2-carboxylate, Furan-2-carboxylic acid, 2-Furoic acid, 2-furancarboxylic acid, 2-furoic acid, furan-2-carboxylic acid, furoic acid, 2-, pyromucic acid
Esol Class Very soluble
Functional Groups cC(=O)O, coc
Compound Name 2-Furoic acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 112.016
Formal Charge 0.0
Monoisotopic Mass 112.016
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 112.08
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.3346207999999997
Inchi InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
Smiles C1=COC(=C1)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Furoic acids

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Ailanthus Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Alocasia Cucullata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 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 Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Arbutus Unedo (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Arisaema Decipiens (Plant) Rel Props:Source_db:npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698710
  • 13. Outgoing r'ship FOUND_IN to/from Cichorium Intybus (Plant) Rel Props:Reference:ISBN:9780387706375
  • 14. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Euphorbia Lagascae (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Forsythia Viridissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150
  • 23. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/1872973
  • 24. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Pleione Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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