5459864 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 7 7 8 8 9 9 10 17 10 11 18 11 6 15 16 7 10 8 12 9 13 11 14 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 6 5 10 7 8 12 1 1 8 7 13 9 14 11 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8.5991 7.7331 2.5369 3.403 6.8671 6.8671 6.001 5.135 4.269 7.7331 3.403 6.001 5.135 4.269 7.404 6.3301 9.136 2 -0.095 1.405 0.405 -1.095 -1.095 -0.095 0.405 -0.095 0.405 0.405 -0.095 1.025 -0.715 1.025 -1.405 -1.405 0.215 0.095 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 229 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623800000000000000000000000000000000000000000000000000000000000000001E00100800000808818000000800400200880024D248000000000002000808008000400A04000001000010000000000091800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2Z,4E)-2-aminohexa-2,4-dienedioic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2Z,4E)-2-aminohexa-2,4-dienedioic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>Z</I>,4<I>E</I>)-2-aminohexa-2,4-dienedioic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2Z,4E)-2-aminohexa-2,4-dienedioic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2Z,4E)-2-azanylhexa-2,4-dienedioic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2Z,4E)-2-aminomuconic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1+,4-2- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZRHONLCTYUYMIQ-TZFCGSKZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.03750770 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H7NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=CC(=O)O)C=C(C(=O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=C/C(=O)O)\C=C(\C(=O)O)/N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.03750770 11 0 0 0 2 2 0 0 1 -1