79015 1 2 3 4 5 6 7 8 8 6 1 1 1 1 1 1 2 2 3 3 3 6 3 7 4 5 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 4.269 2.5369 3.403 3.0044 3.8015 4.8059 2 0.25 0.25 -0.25 -0.7249 -0.7249 -0.06 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2.8 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 2 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 00000371800030000000000000000000000000000000000000000000000000000000000000000012000008000000000000030008000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanediol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CKFGINPQOCXMAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 48.021129366 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 48.041 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 48.021129366 3 0 0 0 0 0 0 0 1 -1