Compound: Vanillic acid
SMILES: O=C(O)c1cc(OC)c(O)cc1
InChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-N
Synonyms: Vanillic acid, 4-HYDROXY-3-METHOXYBENZOIC ACID, 121-34-6, Acide vanillique, Benzoic acid, 4-hydroxy-3-methoxy-, 3-Methoxy-4-hydroxybenzoic acid, GM8Q3JM2Y8, DTXSID6059522, NSC-3987, NSC-674322, FEMA NO. 3988, CHEBI:30816, Acid, Vanillic, 4 Hydroxy 3 methoxybenzoic Acid, p Hydroxy m methoxy benzoic Acid, p-Hydroxy-m-methoxy-benzoic Acid, Acid, 4-Hydroxy-3-methoxybenzoic, Acid, p-Hydroxy-m-methoxy-benzoic, RefChem:6346, DTXCID1033668, 204-466-8, p-Vanillic acid, VanillicAcid, m-Anisic acid, 4-hydroxy-, 4-hydroxy-3-methoxy-Benzoic acid, Protocatechuic acid, 3-methyl ester, MFCD00002551, NSC 3987, NSC 674322, 4-hydroxy-3-methoxy benzoic acid, VA, CHEMBL120568, NSC674322, VA (VAN), VNL, 4-hydroxy-m-Anisic acid, EINECS 204-466-8, UNII-GM8Q3JM2Y8, BRN 2208364, Vanillinsaure, vanillinic acid, p-Vanillate, Vanilic acid, 4-Hydroxy-3-methoxybenzoicacid, AI3-19542, 4-hydroxy-m-Anisate, Vanillic acid (M2), Vanillic acid, 97%, Vanillic acid (Standard), bmse000486, bmse000614, bmse010205, WLN: QVR DQ CO1, VANILLIC ACID [MI], 3-Methoxy-4-hydroxybenzoate, SCHEMBL26179, MLS000574833, 4-hydroxy-3-methoxy-Benzoate, SCHEMBL409710, orb1298357, orb3140748, Vanillic acid, >=97%, FG, 4-hydroxy-3methoxy benzoic acid, SCHEMBL29378740, HY-N0708R, 4-hydroxyl-3-methoxybenzoic acid, DROXIDOPA METABOLITE (VA), NSC3987, 2-METHOXY-4-CARBOXYPHENOL, 3-methoxy-4-hydroxy-benzoic acid, 4- hydroxy-3-methoxybenzoic acid, HMS2197E16, HMS5084K10, Protocatechuic acid 3-methyl ester, HY-N0708, MSK40128, STR02334, BBL011982, BDBM50337364, CK2172, EBC-44422, s5343, SBB008280, STL163472, AKOS000113195, CCG-266343, FH00443, M-METHOXY-P-HYDROXY-BENZOIC ACID, NCGC00247610-01, NCGC00247610-02, AC-11841, BP-13246, SMR000156289, ST086485, SY001450, DB-003804, Vanillic acid, purum, >=97.0% (HPLC), CS-0009728, NS00014581, V0017, 4-HYDROXY-3-METHOXYBENZOIC ACID [FHFI], C06672, EN300-105765, Vanillic acid, Vetec(TM) reagent grade, 97%, AM-331/20714013, F075247, Q419672, Z381356666, Vanillic acid, certified reference material, TraceCERT(R), 3E9555E5-85F5-4FCE-A429-5182E959C6A3, InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11
Theoretical properties:
molecular_formula: C8H8O4
molecular_weight: 168.15 g/mol
exact_mass: 168.04225873 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 66.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.0000171 [mmHg]
Descriptions:
pubchem: Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a vanillate.
chebi: A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.
chembl: VANILLIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Vanillic acid (4-hydroxy-3-methoxybenzoic acid) is a dihydroxybenzoic acid derivative used as a flavoring agent. It is an oxidized form of vanillin.  It is also an intermediate in the production of vanillin from ferulic acid.