1.0 2011-09-26 22:56:16 UTC 2025-11-19 02:59:00 UTC FDB029771 methyl 4-hydroxy-3-methoxybenzoate Flavouring compound [Flavornet] C9H10O4 182.1733 182.057908808 methyl 4-hydroxy-3-methoxybenzoate vanillate 3943-74-6 COC(=O)C1=CC(OC)=C(O)C=C1 InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. M-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Methyl esters Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative M-methoxybenzoic acid or derivatives Methoxybenzene Methoxyphenol Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenoxy compound aromatic ether benzoate ester phenols logp 2.12 ALOGPS logs -1.71 ALOGPS solubility 3.57e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac methyl 4-hydroxy-3-methoxybenzoate ChemAxon average_mass 182.1733 ChemAxon mono_mass 182.057908808 ChemAxon smiles COC(=O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C9H10O4 ChemAxon inchi InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 ChemAxon inchikey BVWTXUYLKBHMOX-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 46.53 ChemAxon polarizability 18.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2453 Specdb::CMs 27760 Specdb::CMs 29870 Specdb::CMs 102594 Specdb::CMs 102595 Specdb::CMs 131174 Specdb::CMs 138908 Specdb::MsIr 11833 Specdb::MsIr 11834 Specdb::NmrOneD 4475 Specdb::NmrOneD 4603 Specdb::NmrOneD 72412 Specdb::NmrOneD 72413 Specdb::NmrOneD 72414 Specdb::NmrOneD 72415 Specdb::NmrOneD 72416 Specdb::NmrOneD 72417 Specdb::NmrOneD 72418 Specdb::NmrOneD 72419 Specdb::NmrOneD 72420 Specdb::NmrOneD 72421 Specdb::NmrOneD 72422 Specdb::NmrOneD 72423 Specdb::NmrOneD 72424 Specdb::NmrOneD 72425 Specdb::NmrOneD 72426 Specdb::NmrOneD 72427 Specdb::NmrOneD 72428 Specdb::NmrOneD 72429 Specdb::NmrOneD 72430 Specdb::NmrOneD 72431 Specdb::MsMs 178173 Specdb::MsMs 178174 Specdb::MsMs 178175 Specdb::MsMs 180489 Specdb::MsMs 180490 Specdb::MsMs 180491 Specdb::MsMs 2252678 Specdb::MsMs 2253812 Specdb::MsMs 2254752 Specdb::MsMs 2255813 Specdb::MsMs 2256708 Specdb::MsMs 2258654 Specdb::MsMs 2259904 Specdb::MsMs 2381327 Specdb::MsMs 2381328 Specdb::MsMs 2381329 Specdb::MsMs 2580456 Specdb::MsMs 2580457 Specdb::MsMs 2580458 butterscotch caramel spicy vanilla warm