5363199 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 2 -1 4 1 1 1 2 3 4 4 5 6 6 7 8 8 8 9 9 9 6 7 4 7 5 8 6 10 11 9 12 13 14 15 16 17 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 4 2 8 5 6 -1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 4.5981 2 3.732 2.866 3.732 3.732 4.5981 2.866 5.4641 3.52 3.1215 2.246 2.866 3.486 5.7741 6.001 5.1541 0.75 -0.75 2.25 -1.25 -0.75 0.25 1.75 -2.25 2.25 0.8326 0.1423 -2.25 -2.87 -2.25 1.7131 2.56 2.7869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 132 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 0 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E000C00000000008080060208001004000A00009008000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-acetoxymethylimino-methyl-oxido-ammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-acetyloxymethylimino-methyl-oxidoammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>Z</I>)-acetyloxymethylimino-methyl-oxidoazanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-acetyloxymethylimino-methyl-oxidoazanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-acetyloxymethylimino-methyl-oxidanidyl-azanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-acetoxymethylimino-methyl-oxido-ammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BELPJCDYWUCHKF-WAYWQWQTSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.05349212 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)OCN=[N+](C)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)OC/N=[N+](/C)\[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.05349212 9 0 0 0 1 1 0 0 1 -1