10658 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 6 6 7 8 8 9 10 10 11 11 12 13 13 7 12 5 14 14 5 7 10 6 8 11 9 9 15 16 12 17 13 18 19 14 20 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 2 1 2 1 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 2.5836 4.3798 5.274 3.5298 4.3958 5.2619 3.5298 5.2619 4.3958 2.5836 6.1719 2 6.1799 5.2778 5.7988 4.3958 2.391 6.7052 1.38 6.718 -2.0894 0.7569 2.2846 -0.7846 -0.2846 -0.7846 -1.7846 -1.7846 -2.2846 -0.4799 -0.2778 -1.2846 0.7638 1.2846 -2.0946 -2.9046 0.1094 -0.594 -1.2846 1.0718 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 4 5 6 6 7 8 10 11 13 7 12 5 14 5 7 10 6 8 11 9 9 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 284 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 000003718070300000000000000000000000000000012000000030400000000000004881F000001A00000000000C04A09802300EC00004408802A8D288000208002420000888010608C80C273684351A823B60A5E01508A987CAECFCCE20000208000800004000041000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furo[2,3-h]chromen-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-furo[2,3-h][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furo[2,3-h]chromen-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furo[2,3-h]chromen-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furo[2,3-h]chromen-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furo[2,3-h]chromen-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XDROKJSWHURZGO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.031694049 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H6O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 39.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.031694049 14 0 0 0 0 0 0 0 1 -1