16682999 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 83 8 8 8 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 1 1 1 2 3 4 4 5 5 6 6 7 8 8 9 10 11 11 12 12 13 2 3 4 8 9 17 18 10 19 14 20 14 9 10 11 13 12 15 13 14 16 1 1 6 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 7.5309 6.9473 6.9473 8.5309 5.135 2.5369 3.403 6.001 6.001 5.135 5.135 4.269 4.269 3.403 5.135 3.732 8.8409 8.8409 4.5981 2 -0.155 0.6497 -0.9597 -0.155 1.845 -0.655 -2.155 0.345 -0.655 0.845 -1.155 -0.655 0.345 -1.155 -1.775 0.655 -0.6919 0.3819 2.155 -0.965 8 8 8 8 8 8 8 8 9 10 11 12 9 10 11 13 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 222 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180603800000000000000000020000000000120000000300000000000000048010000001A00000800000C04809800300E80000200880220D208000200002420000088010688C809273282151280710125C015099987CAEC34CE20000108000040004000021000008000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XXCBNHDMGIZPQF-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 394.99684 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H6BiO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 395.10 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 394.99684 14 0 0 0 0 0 0 0 2 -1