887 1 2 3 4 5 6 8 6 1 1 1 1 1 1 2 2 2 2 6 3 4 5 1 1 1 1 1 1 5 255 1 2 3 4 5 6 2.5369 3.403 3.713 3.9399 3.093 2 -0.25 0.25 -0.2869 0.56 0.7869 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 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371800020000000000000000000000000000000000000000000000000000000000000000012000008000000000000020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH4O/c1-2/h2H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OKKJLVBELUTLKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 32.026214747 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 32.042 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 32.026214747 2 0 0 0 0 0 0 0 1 -1