1004 1 2 3 4 5 6 7 8 15 8 8 8 8 1 1 1 1 1 1 1 2 3 4 2 3 4 5 6 7 8 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.403 4.269 2.5369 2.903 3.903 4.8059 2 3.213 -0.2685 0.2315 -0.7685 0.5976 -1.1345 -0.0785 -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 49.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371000038020000000000000000000000000000000000000000000000000000000000000000000008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphoric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NBIIXXVUZAFLBC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 97.97689557 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H3O4P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 97.995 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 97.97689557 5 0 0 0 0 0 0 0 1 -1