517165 1 2 3 4 5 6 7 8 9 10 11 12 8 8 7 6 6 1 1 1 1 1 1 1 1 -1 3 1 1 2 3 3 3 3 4 4 4 4 5 5 9 10 11 12 5 6 7 8 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 0 1.732 0.866 0.866 0.866 0.246 0.866 1.486 1.403 0.3291 0.556 1.176 2.12 2.12 4.6569 0.62 1.62 0.62 0 0.62 4.9669 4.3469 5.1939 4.12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180423000000000000000000000000000000000000000000000000000000000000000001A001000000000008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;acetate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;acetate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 USFZMSVCRYTOJT-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.047678466 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H7NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].[NH4+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].[NH4+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.047678466 5 0 0 0 0 0 0 0 2 -1