1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:51 UTC FDB012465 (E)-Urocanic acid Isol from fungi, e.g. Coprinus atramentarius (common ink cap) and Phallus impudicus (common stinkhorn). (E)-Urocanic acid is found in mushrooms. (2E)-3-(1H-imidazol-4-yl)acrylic acid (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid (E)-3-(1H-imidazol-4-yl)-2-propenoic acid (Z)-Imidazole-4-acrylate (Z)-Imidazole-4-acrylic acid 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (E)- 2-Propenoic acid, 3-(1H-imidazol-5-yl)- 3-(1H-Imidazol-4-yl)-(e)-2-propenoic acid 3-(1H-imidazol-4-yl)prop-2-enoic acid 3-(1H-Imidazol-5-yl)-2-propenoic acid 3-Imidazol-4-ylacrylic acid cis-Urocanate Cis-urocanic acid Imidazole-4-acrylic acid, (Z)- Imidazole-4-propene-2-enoic acid Imidazole-4-propene-2-enoic acid [Urocanic acid] Trans-urocanic acid Urocanic acid Urocanic acid, cis C6H6N2O2 138.124 138.042927446 (2Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid (2Z)-3-(3H-imidazol-4-yl)prop-2-enoic acid 3465-72-3 OC(=O)\C=C/C1=CN=CN1 InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1- LOIYMIARKYCTBW-UPHRSURJSA-N belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Azoles Imidazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound urocanic acid logp 0.00 ALOGPS logs -0.82 ALOGPS solubility 2.10e+01 g/l ALOGPS melting_point Mp 225° (218-224°) logp -0.88 ChemAxon pka_strongest_acidic 3.21 ChemAxon pka_strongest_basic 6.82 ChemAxon iupac (2Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid ChemAxon average_mass 138.124 ChemAxon mono_mass 138.042927446 ChemAxon smiles OC(=O)\C=C/C1=CN=CN1 ChemAxon formula C6H6N2O2 ChemAxon inchi InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1- ChemAxon inchikey LOIYMIARKYCTBW-UPHRSURJSA-N ChemAxon polar_surface_area 65.98 ChemAxon refractivity 35.89 ChemAxon polarizability 12.75 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14756 Specdb::CMs 43744 Specdb::MsMs 103935 Specdb::MsMs 103936 Specdb::MsMs 103937 Specdb::MsMs 170103 Specdb::MsMs 170104 Specdb::MsMs 170105 Specdb::NmrOneD 301845 Specdb::NmrOneD 301846 Specdb::NmrOneD 301847 Specdb::NmrOneD 301848 Specdb::NmrOneD 301849 Specdb::NmrOneD 301850 Specdb::NmrOneD 301851 Specdb::NmrOneD 301852 Specdb::NmrOneD 301853 Specdb::NmrOneD 301854 Specdb::NmrOneD 301855 Specdb::NmrOneD 301856 Specdb::NmrOneD 301857 Specdb::NmrOneD 301858 Specdb::NmrOneD 301859 Specdb::NmrOneD 301860 Specdb::NmrOneD 301861 Specdb::NmrOneD 301862 Specdb::NmrOneD 301863 Specdb::NmrOneD 301864 HMDB34174 #<Reference:0x000055ce3256db68> #<Reference:0x000055ce3256d9b0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322