5585 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 7 7 9 10 10 11 11 12 13 13 13 14 14 15 15 15 17 17 17 6 12 8 16 16 8 9 10 6 9 11 7 8 13 18 14 15 12 19 17 20 21 22 16 23 24 25 26 27 28 29 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 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 21 22 23 24 25 26 27 28 29 7.3424 3.7702 2 4.6641 6.3961 6.3961 5.5301 4.6641 5.5301 3.7702 7.3424 7.926 5.5301 2.8641 3.7817 2.8641 8.926 5.5301 7.535 6.1501 5.5301 4.9101 2.3284 3.1618 3.7889 4.4017 8.926 9.546 8.926 0.822 1.052 1.0414 -0.4827 -0.4827 0.5173 1.0173 0.5173 -0.9827 -1.0174 -0.7874 0.0173 2.0173 -0.5035 -2.0173 0.5381 0.0173 -1.6027 -1.3768 2.0173 2.6373 2.0173 -0.8156 -2.0245 -2.6373 -2.0101 -0.6027 0.0173 0.6373 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 4 5 5 5 6 7 10 11 14 6 12 8 16 8 9 10 6 9 11 7 8 14 12 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 374 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 00000371C070300000000000000000000000000000012000000030400000000000004881F000001A00000000000C04809800320EC00004408802A0D208000208002420000088010608C80C273684351A823B60A5E01508A98788ECFCCE20000208000800004000041000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethylfuro[3,2-g]chromen-7-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethyl-7-furo[3,2-g][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethylfuro[3,2-g]chromen-7-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethylfuro[3,2-g]chromen-7-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethylfuro[3,2-g]chromen-7-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,9-trimethylfuro[3,2-g]chromen-7-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FMHHVULEAZTJMA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 228.078644241 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 228.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C 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 2021.10.14 228.078644241 17 0 0 0 0 0 0 0 1 -1