449520 1 2 3 4 5 8 8 6 1 1 1 1 2 3 3 2 3 3 4 5 1 1 1 1 1 1 5 255 1 2 3 4 5 2.5 3 2 1.8923 1.4174 -0.433 0.433 0.433 1.0436 0.221 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10.3 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 0 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 00000371000030000000000000000000000012000000000000000000000000000000000000000012000004000000000000030008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dioxirane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dioxirane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dioxirane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dioxirane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dioxirane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dioxirane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH2O2/c1-2-3-1/h1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ASQQEOXYFGEFKQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.005479302 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.025 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1OO1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1OO1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.005479302 3 0 0 0 0 0 0 0 1 -1