10496 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 5 13 6 14 13 14 6 7 9 8 10 8 15 16 17 18 11 19 12 20 13 21 14 22 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 5 1 6 7 9 3 1 6 2 5 8 10 3 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 5.864 3.7601 6.1428 2 5.055 4.3479 5.7621 5.055 4.246 3.7601 4.555 2.809 5.555 2.809 6.2005 6.2005 5.4934 4.6166 3.6563 3.9517 4.1905 2.3074 -0.3113 1.7926 -2.0714 2.0714 0.2765 0.9836 0.9836 1.6907 -0.3113 0.1746 -1.2624 0.4836 -1.2624 1.4836 0.5452 1.422 2.1291 2.1291 -0.1197 -0.4151 -1.764 0.1192 3 3 5 6 7 8 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 357 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 0 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 00000371C0703800000000000000000000000000600102000000000000000000000000000000001A00000000000C44808000000800000400880020D2080000000020000008080000004801040200200002100004C0000A2183C000000A80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.4<SUP>6</SUP>.2<SUP>5</SUP>]dodeca-1,9-diene-3,8-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JLUQTCXCAFSSLD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.04225873 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H8O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2(C13C=CC(=O)O3)C=CC(=O)O2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2(C13C=CC(=O)O3)C=CC(=O)O2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.04225873 14 2 0 2 0 0 0 0 1 -1