1.0 2010-04-08 22:11:42 UTC 2018-05-29 01:17:19 UTC FDB015183 Dehydrochorismic acid Isolated from pollen of Pinus densiflora (Japanese red pine) 3-(1-Carboxyvinyl)benzoic acid Dehydrochorismic acid C10H8O6 224.1669 224.032087988 3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxybenzoic acid 3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxybenzoic acid 81757-66-6 OC(=O)C(=C)OC1=C(O)C=CC(=C1)C(O)=O InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15) LKNPFOZIOWXDQS-UHFFFAOYSA-N belongs to the class of organic compounds known as phenoxyacetic acid derivatives. Phenoxyacetic acid derivatives are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. Phenoxyacetic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Phenoxyacetic acid derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxybenzoic acid derivatives Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxybenzoic acid Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenoxy compound Phenoxyacetate logp 1.65 ALOGPS logs -1.98 ALOGPS solubility 2.37e+00 g/l ALOGPS melting_point Mp 178-181° dec. logp 1.17 ChemAxon pka_strongest_acidic 2.77 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxybenzoic acid ChemAxon average_mass 224.1669 ChemAxon mono_mass 224.032087988 ChemAxon smiles OC(=O)C(=C)OC1=C(O)C=CC(=C1)C(O)=O ChemAxon formula C10H8O6 ChemAxon inchi InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15) ChemAxon inchikey LKNPFOZIOWXDQS-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 52.76 ChemAxon polarizability 19.78 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100233 Specdb::MsMs 100234 Specdb::MsMs 100235 Specdb::MsMs 165498 Specdb::MsMs 165499 Specdb::MsMs 165500 Specdb::MsMs 2829148 Specdb::MsMs 2829149 Specdb::MsMs 2829150 Specdb::MsMs 2853703 Specdb::MsMs 2853704 Specdb::MsMs 2853705 Specdb::CMs 15007 Specdb::CMs 44809 Specdb::CMs 147221 Specdb::NmrOneD 135198 Specdb::NmrOneD 135199 Specdb::NmrOneD 135200 Specdb::NmrOneD 135201 Specdb::NmrOneD 135202 Specdb::NmrOneD 135203 Specdb::NmrOneD 135204 Specdb::NmrOneD 135205 Specdb::NmrOneD 135206 Specdb::NmrOneD 135207 Specdb::NmrOneD 135208 Specdb::NmrOneD 135209 Specdb::NmrOneD 135210 Specdb::NmrOneD 135211 Specdb::NmrOneD 135212 Specdb::NmrOneD 135213 Specdb::NmrOneD 135214 Specdb::NmrOneD 135215 Specdb::NmrOneD 135216 Specdb::NmrOneD 135217 HMDB36314 #<Reference:0x000055ce31f802c8>