16682734 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 83 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 6 6 6 7 8 8 9 9 11 11 12 2 3 4 7 10 17 18 10 7 8 10 9 11 13 12 14 12 15 16 1 1 6 1 1 1 1 2 1 2 1 2 1 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 5.5321 4.666 5.5321 6.3981 4.666 3.8 3.8 2.9061 2.9061 4.666 2 2 2.9132 2.9132 1.4643 1.4643 6.935 6.3981 -0.69 -1.19 0.31 -1.19 1.81 0.31 -0.69 0.8447 -1.2247 0.81 0.3308 -0.7108 1.4646 -1.8446 0.6429 -1.0229 -0.88 -1.81 8 8 8 8 8 8 6 6 7 8 9 11 7 8 9 11 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 173 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 1 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 0000037180603800000000000000000020000000000000000000344000000000000000910000001A00000800000C04809800300E80000000880220D208000200002420000888010608C808273680151280314025E01108898788C8208E00000000000800000000000000100000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QBWLKDFBINPHFT-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.00701 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H6BiO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.10 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)O[Bi]O2.O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)O[Bi]O2.O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 36.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.00701 12 0 0 0 0 0 0 0 2 -1