| 1 | benzoic acid |
| 2 | Dracylic acid |
| 3 | benzenecarboxylic acid |
| 4 | Carboxybenzene |
| 5 | Benzeneformic acid |
Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an antimicrobial food preservative, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a plant metabolite, a human xenobiotic metabolite, an algal metabolite and a drug allergen. It is a conjugate acid of a benzoate.
| Molecular Formula | C7H6O2 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C(=O)O |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)O |
| Molecular Weight | 122.1200 |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| XLogP | 1.9000 |
| ExactMass | 122.0368 |
| MonoisotopicMass | 122.0368 |
| TPSA | 37.3000 |
| Complexity | 104.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 591213 |
| PatentFamilyCount | 212036 |
| LiteratureCount | 25551 |