1.0 2020-04-03 16:42:26 UTC 2025-11-19 03:08:13 UTC FDB098186 2-Methylbenzoic acid C8H8O2 136.1479 136.0524295 2-methylbenzoic acid o-toluic acid CC1=C(C=CC=C1)C(O)=O InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) ZWLPBLYKEWSWPD-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. Benzoic acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Toluenes Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Toluene methylbenzoic acid logp 2.03 ALOGPS logs -1.65 ALOGPS solubility 3.02e+00 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_acidic 3.96 ChemAxon iupac 2-methylbenzoic acid ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles CC1=C(C=CC=C1)C(O)=O ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) ChemAxon inchikey ZWLPBLYKEWSWPD-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 38.36 ChemAxon polarizability 13.95 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1745 Specdb::MsIr 1746 Specdb::MsIr 1747 Specdb::MsMs 45804 Specdb::MsMs 45805 Specdb::MsMs 45806 Specdb::MsMs 167904 Specdb::MsMs 167905 Specdb::MsMs 167906 Specdb::MsMs 438523 Specdb::MsMs 438524 Specdb::MsMs 438525 Specdb::MsMs 438526 Specdb::MsMs 2248795 Specdb::MsMs 2250766 Specdb::MsMs 2251623 Specdb::MsMs 2368749 Specdb::MsMs 2368750 Specdb::MsMs 2368751 Specdb::MsMs 2566535 Specdb::MsMs 2566536 Specdb::MsMs 2566537 Specdb::CMs 10525 Specdb::CMs 26757 Specdb::CMs 30132 Specdb::CMs 30429 Specdb::CMs 38376 Specdb::CMs 99767 Specdb::CMs 99768 Specdb::CMs 99769 Specdb::CMs 136365 Specdb::CMs 144099 Specdb::NmrOneD 122338 Specdb::NmrOneD 122339 Specdb::NmrOneD 122340 Specdb::NmrOneD 122341 Specdb::NmrOneD 122342 Specdb::NmrOneD 122343 Specdb::NmrOneD 122344 Specdb::NmrOneD 122345 Specdb::NmrOneD 122346 Specdb::NmrOneD 122347 Specdb::NmrOneD 122348 Specdb::NmrOneD 122349 Specdb::NmrOneD 122350 Specdb::NmrOneD 122351 Specdb::NmrOneD 122352 Specdb::NmrOneD 122353 Specdb::NmrOneD 122354 Specdb::NmrOneD 122355 Specdb::NmrOneD 122356 Specdb::NmrOneD 122357 HMDB0002340 Milk (Cow) Type 2 specific