1.0 2016-09-30 22:52:52 UTC 2020-04-22 15:10:16 UTC BMDB0002222 BMDB02222 3-Methylphenylacetic acid 3-Tolylacetic acid m-Methylphenylacetic acid m-Tolylacetic acid 3-Tolylacetate m-Methylphenylacetate m-Tolylacetate 3-Methylphenylacetate (3-Methylphenyl)acetate (3-Methylphenyl)acetic acid C9H10O2 150.1745 150.068079564 2-(3-methylphenyl)acetic acid 3-methylphenylacetic acid 621-36-3 CC1=CC(CC(O)=O)=CC=C1 InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) GJMPSRSMBJLKKB-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Toluenes Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Toluene Aromatic homomonocyclic compounds Solid melting_point 62 °C logp 1.95 HANSCH,C ET AL. (1995) logp 2.11 ALOGPS logs -1.99 ALOGPS logp 2.12 ChemAxon pka_strongest_acidic 4.69 ChemAxon iupac 2-(3-methylphenyl)acetic acid ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CC1=CC(CC(O)=O)=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) ChemAxon inchikey GJMPSRSMBJLKKB-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 42.41 ChemAxon polarizability 15.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1692 Specdb::MsIr 1693 Specdb::MsIr 1694 Specdb::NmrOneD 1866 Specdb::NmrOneD 10282 Specdb::NmrOneD 10283 Specdb::NmrOneD 10284 Specdb::NmrOneD 10285 Specdb::NmrOneD 10286 Specdb::NmrOneD 10287 Specdb::NmrOneD 10288 Specdb::NmrOneD 10289 Specdb::NmrOneD 10290 Specdb::NmrOneD 10291 Specdb::NmrOneD 10292 Specdb::NmrOneD 10293 Specdb::NmrOneD 10294 Specdb::NmrOneD 10295 Specdb::NmrOneD 10296 Specdb::NmrOneD 10297 Specdb::NmrOneD 10298 Specdb::NmrOneD 10299 Specdb::NmrOneD 10300 Specdb::NmrOneD 10301 Specdb::NmrOneD 166367 Specdb::NmrOneD 166633 Specdb::NmrTwoD 1805 Specdb::MsMs 2037 Specdb::MsMs 2038 Specdb::MsMs 2039 Specdb::MsMs 288286 Specdb::MsMs 288287 Specdb::MsMs 288288 Specdb::MsMs 327355 Specdb::MsMs 327356 Specdb::MsMs 327357 Specdb::MsMs 2291205 Specdb::MsMs 2291206 Specdb::MsMs 2291207 Specdb::MsMs 2643555 Specdb::MsMs 2643556 Specdb::MsMs 2643557 Specdb::CMs 10089 Specdb::CMs 29673 Specdb::CMs 38326 Specdb::CMs 99760 Specdb::CMs 153394 FDB022916 11623 12121 88356 6557