7020 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 8 8 9 9 10 10 11 11 12 12 13 13 14 15 5 6 7 5 7 8 6 7 9 10 11 12 16 13 17 14 18 15 19 14 20 15 21 22 23 1 1 2 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 1 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 4.666 4.666 5.5321 3.8 5.5321 3.8 4.666 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 -1.4827 1.5173 0.0173 0.0173 -0.9827 -0.9827 0.5173 0.552 0.552 -1.5173 -1.5173 0.0381 0.0381 -1.0035 -1.0035 1.172 1.172 -2.1373 -2.1373 0.3502 0.3502 -1.3156 -1.3156 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 3 4 4 4 5 6 8 9 10 11 12 13 5 6 5 7 8 6 7 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 237 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C0703000000000000000000000000000000000000000346080000000000000914000001A00000000000C048098003006800004008802A05200000208002420000888010608C80C263684351A823960A4E01108A98788C8E08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 xanthen-9-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-xanthenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 xanthen-9-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 xanthen-9-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 xanthen-9-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 xanthone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JNELGWHKGNBSMD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.052429494 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H8O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.052429494 15 0 0 0 0 0 0 0 1 -1