4-Propoxybenzoic Acid
PubChem CID: 138500
Connections displayed (default: 10).
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| Compound Synonyms | 4-Propoxybenzoic acid, 5438-19-7, p-Propoxybenzoic acid, 4-n-Propoxybenzoic acid, Benzoic acid, 4-propoxy-, 4-Propoxy-benzoic acid, 4-n-Propyloxybenzoic acid, Benzoic acid, p-propoxy-, MFCD00013989, p-Propyloxybenzoic acid, 4-propoxy benzoic acid, p-carboxyphenoxy propane, p-n-Propoxybenzoic acid, Enamine_004326, p-(n-Propoxy)benzoic acid, MLS000776293, 4-Propoxybenzoic acid, 98%, SCHEMBL175191, CHEMBL112328, DTXSID10202750, HMS1406E14, HMS2762C03, ALBB-000777, NSC16632, BBL034232, NSC 16632, NSC-16632, STK397538, AKOS000114308, FP61815, NCGC00246150-01, AS-50196, SMR000371296, SY015135, DB-001306, NS00121566, P0206, EN300-17041, O11281, Z56862795, 611-129-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q194T2, Q13148 |
| Iupac Name | 4-propoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.243 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.269 |
| Compound Name | 4-Propoxybenzoic Acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9814970615384615 |
| Inchi | InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| Smiles | CCCOC1=CC=C(C=C1)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Clausena Anisata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Clausena Dentata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Clausena Dunniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Clausena Heptaphylla (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Clausena Indica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Clausena Kanpurensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Clausena Suffruticosa (Plant) Rel Props:Reference: - 14. Outgoing r'ship
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FOUND_INto/from Clausena Wampi (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Clausena Willdenowii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Daiswa Dunniana (Plant) Rel Props:Reference: