1.0 2010-04-08 22:10:20 UTC 2015-07-20 22:53:37 UTC FDB012742 Hydroxyminaline Component of the molecule pectase found in Penicillium and Aspergillus Hydroxyminaline C5H5NO3 127.0981 127.026943031 4-hydroxy-1H-pyrrole-2-carboxylic acid 4-hydroxy-1H-pyrrole-2-carboxylic acid OC(=O)C1=CC(O)=CN1 InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9) FCGOBISRCUOUQH-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2. Pyrrole 2-carboxylic acids Organic compounds Organoheterocyclic compounds Pyrroles Pyrrole carboxylic acids and derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteromonocyclic compound Azacycle Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole-2-carboxylic acid Substituted pyrrole logp 0.27 ALOGPS logs -0.33 ALOGPS solubility 6.01e+01 g/l ALOGPS logp 0.33 ChemAxon pka_strongest_acidic 3.58 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac 4-hydroxy-1H-pyrrole-2-carboxylic acid ChemAxon average_mass 127.0981 ChemAxon mono_mass 127.026943031 ChemAxon smiles OC(=O)C1=CC(O)=CN1 ChemAxon formula C5H5NO3 ChemAxon inchi InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9) ChemAxon inchikey FCGOBISRCUOUQH-UHFFFAOYSA-N ChemAxon polar_surface_area 73.32 ChemAxon refractivity 29.93 ChemAxon polarizability 11.24 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6576 Specdb::MsIr 6577 Specdb::MsIr 6578 Specdb::CMs 10430 Specdb::CMs 43844 Specdb::CMs 153189 Specdb::NmrOneD 126038 Specdb::NmrOneD 126039 Specdb::NmrOneD 126040 Specdb::NmrOneD 126041 Specdb::NmrOneD 126042 Specdb::NmrOneD 126043 Specdb::NmrOneD 126044 Specdb::NmrOneD 126045 Specdb::NmrOneD 126046 Specdb::NmrOneD 126047 Specdb::NmrOneD 126048 Specdb::NmrOneD 126049 Specdb::NmrOneD 126050 Specdb::NmrOneD 126051 Specdb::NmrOneD 126052 Specdb::NmrOneD 126053 Specdb::NmrOneD 126054 Specdb::NmrOneD 126055 Specdb::NmrOneD 126056 Specdb::NmrOneD 126057 Specdb::MsMs 64104 Specdb::MsMs 64105 Specdb::MsMs 64106 Specdb::MsMs 121167 Specdb::MsMs 121168 Specdb::MsMs 121169 Specdb::MsMs 2383538 Specdb::MsMs 2383539 Specdb::MsMs 2383540 Specdb::MsMs 2582951 Specdb::MsMs 2582952 Specdb::MsMs 2582953 HMDB34368 #<Reference:0x000055ce302c6c68>