5281571 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 8 9 9 10 11 13 13 14 15 15 16 8 21 10 22 11 23 12 24 14 7 8 10 9 13 11 12 17 14 12 15 18 16 16 19 20 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 1 1 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 19 20 21 22 23 24 5.2626 3.8209 7.0444 7.0444 2 4.3802 4.3802 5.2742 5.2742 3.5984 6.1803 6.1803 3.5984 2.6235 2.6235 2.1896 5.267 3.7364 2.2369 1.5696 5.7959 3.3664 7.5825 7.042 1.5966 1.6604 0.5862 -1.4621 1.2448 0.062 -0.938 0.5967 -1.4726 0.6855 0.0828 -0.9588 -1.5615 0.463 -1.339 -0.438 -2.0926 -2.1659 -1.8237 -0.438 1.9128 2.0821 0.2782 -2.0821 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 7 7 8 9 10 11 13 14 15 7 8 10 9 13 11 12 14 12 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 529 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 4 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 00000371C0703800000000000000000000000000000000000000200000000400000000000000001A00000800000C048080000000000002008802A052000200000020200008080040004809040000010000500004C0000991820000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrahydroxybenzo[7]annulen-6-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrahydroxy-6-benzo[7]annulenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrahydroxybenzo[7]annulen-6-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrahydroxybenzo[7]annulen-6-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrakis(oxidanyl)benzo[7]annulen-6-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetrahydroxybenzocyclohepten-6-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WDGFFVCWBZVLCE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.03717335 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H8O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.03717335 16 0 0 0 0 0 0 0 1 -1