168934 1 2 3 4 5 6 7 8 9 10 15 8 8 8 8 8 6 1 1 1 1 1 1 1 2 3 4 6 7 2 3 4 5 7 8 9 7 10 1 1 1 2 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 3.403 4.269 2.5369 2.903 3.903 6.001 5.135 2 3.213 5.135 -0.2685 0.2315 -0.7685 0.5976 -1.1345 0.2315 -0.2685 -0.4585 1.1345 -0.8885 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 101 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038020000000000000000000000000000000000000000000000000000000000000012000008200000000000030008000001100840000088800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono formate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formic acid phosphono ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono formate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono formate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono methanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formic acid phosphono ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TVISEJUYYBUVNV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 125.97181019 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3O5P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.01 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 125.97181019 7 0 0 0 0 0 0 0 1 -1