1.0 2016-09-30 23:04:12 UTC 2020-04-22 15:12:10 UTC BMDB0003381 BMDB03381 4-Hydroxycrotonic acid 4-Hydroxycrotonate trans-4-Hydroxycrotonic acid trans-4-Hydroxycrotonate 4-Hydroxy-2-butenoate 4-Hydroxy-2-butenoic acid 4-Hydroxy-crotonic acid gamma-Hydroxy-crotonic acid gamma-Hydroxycrotonic acid 4-Hydroxy-2-butenoic acid, (e)-isomer 4-Hydroxy-2-butenoic acid, (Z)-isomer 4-Hydroxy-2-butenoic acid, sodium salt, (e)-isomer 4-Hydroxy-crotonate C4H6O3 102.0886 102.031694058 (2E)-4-hydroxybut-2-enoic acid 4-hydroxycrotonic acid 24587-49-3 OC\C=C\C(O)=O InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+ RMQJECWPWQIIPW-OWOJBTEDSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Straight chain fatty acids Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds Hydroxy fatty acids Solid logp -0.31 ALOGPS logs 0.36 ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (2E)-4-hydroxybut-2-enoic acid ChemAxon average_mass 102.0886 ChemAxon mono_mass 102.031694058 ChemAxon smiles OC\C=C\C(O)=O ChemAxon formula C4H6O3 ChemAxon inchi InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+ ChemAxon inchikey RMQJECWPWQIIPW-OWOJBTEDSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 24.74 ChemAxon polarizability 9.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20163 Specdb::CMs 38588 Specdb::CMs 171168 Specdb::MsIr 1957 Specdb::MsIr 1958 Specdb::MsIr 1959 Specdb::MsMs 310909 Specdb::MsMs 310910 Specdb::MsMs 310911 Specdb::MsMs 355780 Specdb::MsMs 355781 Specdb::MsMs 355782 Specdb::MsMs 2438866 Specdb::MsMs 2438867 Specdb::MsMs 2438868 Specdb::MsMs 2523768 Specdb::MsMs 2523769 Specdb::MsMs 2523770 Specdb::NmrOneD 21562 Specdb::NmrOneD 21563 Specdb::NmrOneD 21564 Specdb::NmrOneD 21565 Specdb::NmrOneD 21566 Specdb::NmrOneD 21567 Specdb::NmrOneD 21568 Specdb::NmrOneD 21569 Specdb::NmrOneD 21570 Specdb::NmrOneD 21571 Specdb::NmrOneD 21572 Specdb::NmrOneD 21573 Specdb::NmrOneD 21574 Specdb::NmrOneD 21575 Specdb::NmrOneD 21576 Specdb::NmrOneD 21577 Specdb::NmrOneD 21578 Specdb::NmrOneD 21579 Specdb::NmrOneD 21580 Specdb::NmrOneD 21581 FDB023160 4825947 6155526 553775 T-HCA