1.0 2010-04-08 22:09:11 UTC 2019-11-26 03:03:45 UTC FDB010545 Methyl 2-methoxybenzoate Present in the mushroom Tramates graveolens. Flavouring ingredient. Methyl 2-methoxybenzoate is found in mushrooms. 2-Methoxybenzoic acid, methyl ester Benzoic acid, 2-methoxy-, methyl ester Dimethyl derivative of salicylic acid Dimethyl salicylate FEMA 2717 Methoxy methylbenzoate, o- Methyl 2-methoxybenzoate Methyl ester of o-methoxybenzoic acid Methyl o-anisate Methyl o-methoxybenzoate Methyl salicylate o-methyl ether Methylsalicylate methyl ether Methyol o-methoxybenzoate O-anisic acid, methyl ester o-Anisic acid, methyl ester (7CI,8CI) O-methoxy methyl benzoate O-Methoxy methylbenzoate O-methoxybenzoic acid methyl ester C9H10O3 166.1739 166.062994186 methyl 2-methoxybenzoate methyl 2-methoxybenzoate 606-45-1 COC(=O)C1=CC=CC=C1OC InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3 PFYHAAAQPNMZHO-UHFFFAOYSA-N belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. O-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methyl esters Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Methyl ester Monocarboxylic acid or derivatives O-methoxybenzoic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 2.06 ALOGPS logs -2.17 ALOGPS solubility 1.13e+00 g/l ALOGPS logp 1.82 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac methyl 2-methoxybenzoate ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles COC(=O)C1=CC=CC=C1OC ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3 ChemAxon inchikey PFYHAAAQPNMZHO-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 44.55 ChemAxon polarizability 16.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5611 Specdb::MsIr 5612 Specdb::CMs 21501 Specdb::CMs 27295 Specdb::CMs 29372 Specdb::CMs 29868 Specdb::CMs 101195 Specdb::CMs 101196 Specdb::CMs 101197 Specdb::CMs 157476 Specdb::MsMs 92709 Specdb::MsMs 92710 Specdb::MsMs 92711 Specdb::MsMs 156381 Specdb::MsMs 156382 Specdb::MsMs 156383 Specdb::MsMs 2244022 Specdb::MsMs 2246041 Specdb::MsMs 2246147 Specdb::MsMs 2248168 Specdb::MsMs 2250306 Specdb::MsMs 2252110 Specdb::MsMs 2424247 Specdb::MsMs 2424248 Specdb::MsMs 2424249 Specdb::MsMs 2514436 Specdb::MsMs 2514437 Specdb::MsMs 2514438 HMDB32605 #<Reference:0x000055ce3059b3f8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 blackcurrant cananga floral fruity herbal hyacinth