1.0 2026-09-21 14:13:54 UTC 2026-09-21 14:13:54 UTC FDB116568 penicillic acid (2Z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid C8H10O4 170.164 170.057908802 (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid penicillic acid [H]\C(C(O)=O)=C(\OC)C(=O)C(C)=C InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4- VOUGEZYPVGAPBB-XQRVVYSFSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Medium-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Aliphatic acyclic compounds Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Branched fatty acids Carboxylic acids Enones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Vinylogous esters Acryloyl-group Aliphatic acyclic compound Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Enone Fatty acyl Hydrocarbon derivative Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Vinylogous ester logp 1.15 ALOGPS logs -1.52 ALOGPS solubility 5.10e+00 g/l ALOGPS logp 1.03 ChemAxon pka_strongest_acidic 3.6 ChemAxon pka_strongest_basic -5 ChemAxon iupac (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid ChemAxon average_mass 170.164 ChemAxon mono_mass 170.057908802 ChemAxon smiles [H]\C(C(O)=O)=C(\OC)C(=O)C(C)=C ChemAxon formula C8H10O4 ChemAxon inchi InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4- ChemAxon inchikey VOUGEZYPVGAPBB-XQRVVYSFSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 43.88 ChemAxon polarizability 16.21 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1090114 Specdb::MsMs 63540 Specdb::MsMs 63541 Specdb::MsMs 63542 Specdb::MsMs 120504 Specdb::MsMs 120505 Specdb::MsMs 120506 Specdb::NmrOneD 280118 Specdb::NmrOneD 280119 Specdb::NmrOneD 280120 Specdb::NmrOneD 280121 Specdb::NmrOneD 280122 Specdb::NmrOneD 280123 Specdb::NmrOneD 280124 Specdb::NmrOneD 280125 Specdb::NmrOneD 280126 Specdb::NmrOneD 280127 Specdb::NmrOneD 280128 Specdb::NmrOneD 280129 Specdb::NmrOneD 280130 Specdb::NmrOneD 280131 Specdb::NmrOneD 280132 Specdb::NmrOneD 280133 Specdb::NmrOneD 280134 Specdb::NmrOneD 280135 Specdb::NmrOneD 280136 Specdb::NmrOneD 280137