1.0 2010-04-08 22:05:36 UTC 2019-11-26 02:58:18 UTC FDB002993 Diatretin 2 Production by Camarophyllus virgineus (snowy wax cap). Diatretin 2 is found in mushrooms. 2-Heptene-4,6-diynoic acid, 7-cyano-, (E)- 7-Cyano-(e)-2-heptene-4,6-diynoic acid 7-Cyano-2-heptene-4,6-diynoic acid 7-Cyano-trans-2-heptene-4,6-diynoic acid Diatretin 2 Diatretyne 2 Diatretyne II Diatretynnitril Nudic acid B C8H3NO2 145.1149 145.016378345 (2E)-7-cyanohept-2-en-4,6-diynoic acid (2E)-7-cyanohept-2-en-4,6-diynoic acid 463-15-0 OC(=O)\C=C\C#CC#CC#N InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+ DMGKNZBGIHCAMP-GQCTYLIASA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Amino fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Nitriles Organic oxides Organopnictogen compounds Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Amino fatty acid Carbonitrile Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Nitrile Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Straight chain fatty acid Unsaturated fatty acid logp 1.32 ALOGPS logs -2.98 ALOGPS solubility 1.51e-01 g/l ALOGPS melting_point Mp 179-180° dec. logp 1.28 ChemAxon pka_strongest_acidic 2.2 ChemAxon iupac (2E)-7-cyanohept-2-en-4,6-diynoic acid ChemAxon average_mass 145.1149 ChemAxon mono_mass 145.016378345 ChemAxon smiles OC(=O)\C=C\C#CC#CC#N ChemAxon formula C8H3NO2 ChemAxon inchi InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+ ChemAxon inchikey DMGKNZBGIHCAMP-GQCTYLIASA-N ChemAxon polar_surface_area 61.09 ChemAxon refractivity 40.79 ChemAxon polarizability 14.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4061 Specdb::MsIr 4062 Specdb::CMs 17800 Specdb::CMs 42305 Specdb::CMs 161520 Specdb::MsMs 59568 Specdb::MsMs 59569 Specdb::MsMs 59570 Specdb::MsMs 115734 Specdb::MsMs 115735 Specdb::MsMs 115736 Specdb::MsMs 2679855 Specdb::MsMs 2679856 Specdb::MsMs 2679857 Specdb::MsMs 3025074 Specdb::MsMs 3025075 Specdb::MsMs 3025076 HMDB31004 #<Reference:0x000055ce3260d0f0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322