9547954 1 2 3 4 5 6 7 8 9 8 8 8 8 6 1 1 1 1 1 1 2 2 3 3 4 4 5 6 5 7 5 8 5 9 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 4.269 2.5369 2.903 3.903 3.403 4.8059 2 3.213 3.593 0.5 -0.5 0.866 -0.866 0 0.19 -0.19 1.403 -1.403 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 19.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371800038000000000000000000000000000000000000000000000000000000000000000002000008000000000000000008000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 methanetetrol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH4O4/c2-1(3,4)5/h2-5H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RXCVUXLCNLVYIA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.01095860 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.04 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(O)(O)(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(O)(O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.01095860 5 0 0 0 0 0 0 0 1 -1