11333049 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 7 8 8 9 9 10 10 11 11 12 12 14 14 15 5 6 13 5 7 8 6 7 9 10 11 16 12 17 14 18 13 19 15 20 13 21 15 22 23 1 1 2 1 2 1 1 1 2 2 2 1 2 1 1 1 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 4.666 8.1962 5.5321 3.8 5.5321 3.8 4.666 6.426 2.9061 6.426 2.9061 7.3321 7.3321 2 2 4.666 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 1.4643 1 1.0241 -0.5 -0.5 0.5 0.5 -1 -1.0347 -1.0347 1.0347 1.0347 -0.5208 0.5208 -0.5208 0.5208 -1.62 -1.6546 -1.6546 1.6546 1.6546 -0.8329 -0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 4 5 6 8 9 10 11 12 14 5 6 7 8 6 7 9 10 11 12 14 13 15 13 15 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 387 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000304080000000000000810000001A00000000000C048098003006800004008802A05200000208002020000888000608C80C262284311A823820A4C01108A98780C0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 xanthen-3-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-xanthenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 xanthen-3-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 xanthen-3-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 xanthen-3-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 fluorone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H8O2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FRIPRWYKBIOZJU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.052429494 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H8O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=C3C=CC(=O)C=C3O2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=C3C=CC(=O)C=C3O2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 26.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.052429494 15 0 0 0 0 0 0 0 1 -1