1.0 2020-04-03 16:35:39 UTC 2025-11-19 03:08:12 UTC FDB098134 Tropic acid C9H10O3 166.1739 166.062994186 3-hydroxy-2-phenylpropanoic acid (+-)-tropic acid OCC(C(O)=O)C1=CC=CC=C1 InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) JACRWUWPXAESPB-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aromatic homomonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol 3-hydroxy monocarboxylic acid logp 0.77 ALOGPS logs -1.21 ALOGPS solubility 1.04e+01 g/l ALOGPS logp 0.87 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-hydroxy-2-phenylpropanoic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OCC(C(O)=O)C1=CC=CC=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) ChemAxon inchikey JACRWUWPXAESPB-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 43.71 ChemAxon polarizability 16.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1275 Specdb::CMs 2718 Specdb::CMs 29677 Specdb::CMs 32248 Specdb::CMs 48974 Specdb::CMs 135424 Specdb::CMs 143158 Specdb::MsIr 10524 Specdb::MsIr 10525 Specdb::MsIr 10526 Specdb::MsMs 178728 Specdb::MsMs 178729 Specdb::MsMs 178730 Specdb::MsMs 181047 Specdb::MsMs 181048 Specdb::MsMs 181049 Specdb::MsMs 438552 Specdb::MsMs 438553 Specdb::MsMs 438554 Specdb::MsMs 438555 Specdb::MsMs 438556 Specdb::MsMs 2248435 Specdb::MsMs 2249929 Specdb::MsMs 2250502 Specdb::MsMs 2251895 Specdb::MsMs 2841441 Specdb::MsMs 2841442 Specdb::MsMs 2841443 Specdb::MsMs 2863986 Specdb::MsMs 2863987 Specdb::MsMs 2863988 Specdb::NmrOneD 5099 Specdb::NmrOneD 5100 Specdb::NmrOneD 68412 Specdb::NmrOneD 68413 Specdb::NmrOneD 68414 Specdb::NmrOneD 68415 Specdb::NmrOneD 68416 Specdb::NmrOneD 68417 Specdb::NmrOneD 68418 Specdb::NmrOneD 68419 Specdb::NmrOneD 68420 Specdb::NmrOneD 68421 Specdb::NmrOneD 68422 Specdb::NmrOneD 68423 Specdb::NmrOneD 68424 Specdb::NmrOneD 68425 Specdb::NmrOneD 68426 Specdb::NmrOneD 68427 Specdb::NmrOneD 68428 Specdb::NmrOneD 68429 Specdb::NmrOneD 68430 Specdb::NmrOneD 68431 Milk (Cow) Type 2 specific