186 1 2 3 4 5 6 7 8 9 10 11 12 13 15 8 8 8 8 8 6 6 1 1 1 1 1 1 1 1 1 2 3 4 6 7 8 8 8 2 3 4 5 7 12 13 7 8 9 10 11 1 1 1 2 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3.403 4.269 2.5369 2.903 3.903 5.135 5.135 6.001 6.311 6.538 5.691 2 3.213 -0.2015 0.2985 -0.7015 0.6645 -1.0675 -1.2015 -0.2015 0.2985 -0.2384 0.6085 0.8355 -0.3915 1.2015 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 133 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 0000037180403802000000000000000000000000000000000000000000000000000000000000001A000008200000008080000208000001100840009008800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid phosphono ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid phosphono ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LIPOUNRJVLNBCD-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 2021.10.14 139.98746025 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H5O5P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=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 2021.10.14 139.98746025 8 0 0 0 0 0 0 0 1 -1