167786 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 8 8 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 2 -1 5 1 6 1 1 2 3 4 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 12 11 12 21 22 23 24 25 26 27 28 8 9 13 14 10 15 16 11 17 18 12 19 20 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 0 6.0622 0.866 5.1962 3.0311 3.0311 2.5981 3.4641 1.732 4.3301 0.866 5.1962 2.1996 2.9966 3.8626 3.0656 2.1306 1.3335 3.9316 4.7287 3.568 2.4942 2.7211 3.3411 3.568 2.4942 2.7211 3.3411 1.5 1 0 2.5 5.0369 8.1108 1 1.5 1.5 1 1 1.5 0.5251 0.5251 1.975 1.975 1.975 1.975 0.5251 0.5251 5.3469 4.7269 5.5739 4.5 8.4208 7.8008 8.6477 7.5739 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 103 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0633800000000000000000000000000000000000000000000000000000000000000001A001000000008008080000008000000000800009008000000000000000000010000000000120000000000000400000000018848000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;hexanedioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;hexanedioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hexanedioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hexanedioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hexanedioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;adipate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZRSKSQHEOZFGLJ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.11100700 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H16N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.11100700 12 0 0 0 0 0 0 0 3 -1