16124 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 15 8 8 8 8 8 8 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 5 6 9 9 3 4 7 9 5 6 8 9 12 13 14 15 10 11 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 3.403 5.135 2.5369 2.903 6.001 5.635 3.903 4.635 4.269 4.6675 3.8705 2 3.213 6.538 5.325 -0.2685 -0.2685 -0.7685 0.5976 -0.7685 0.5976 -1.1345 -1.1345 0.2315 0.7065 0.7065 -0.4585 1.1345 -0.4585 1.1345 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 152 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371800038030000000000000000000000000000000000000000000000000000000000000010080008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphonomethylphosphonic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MBKDYNNUVRNNRF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 175.96396190 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH6O6P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.00 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(P(=O)(O)O)P(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(P(=O)(O)O)P(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 115 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 175.96396190 9 0 0 0 0 0 0 0 1 -1