71540438 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 30 31 32 33 34 35 36 37 38 39 40 8 8 8 8 8 8 6 6 6 6 6 6 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 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 9 9 9 10 11 12 13 13 14 14 15 16 16 17 17 18 19 19 19 21 21 22 22 23 23 25 25 25 10 13 11 20 12 26 24 40 20 26 8 10 19 11 17 12 14 16 20 21 15 15 18 23 25 27 18 28 22 29 30 31 32 33 24 34 24 35 26 36 37 38 39 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 2 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 30 31 32 33 34 35 36 37 38 39 40 7.8003 6.0682 11.2923 2.5381 7.8003 13.0625 6.0682 5.2022 10.3984 6.9343 5.2022 10.3984 8.6663 11.2923 9.5323 9.5323 4.3083 8.6663 6.0682 6.9343 4.3083 3.4022 12.1984 3.4022 11.2808 12.1984 9.5323 9.5323 4.3154 8.1294 6.6882 6.0682 5.4482 4.3154 2.8665 12.7341 10.6608 11.2736 11.9007 2 1.0173 -0.9827 1.052 -1.0068 -0.9827 1.0414 1.0173 0.5173 -0.4827 0.5173 -0.4827 0.5173 0.5173 -1.0174 1.0173 -0.9827 1.052 -0.4827 2.0173 -0.4827 -1.0174 0.5381 -0.5035 -0.5035 -2.0173 0.5381 1.6373 -1.6027 1.6719 -0.7927 2.0173 2.6373 2.0173 -1.6373 0.8502 -0.8156 -2.0101 -2.6373 -2.0245 -0.6989 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 7 7 8 8 9 9 9 10 11 12 13 13 14 16 17 21 22 23 11 20 12 26 8 10 11 17 12 14 16 20 21 15 15 18 23 18 22 24 24 26 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 678 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0783800000000000000000000000000000000000000306081000000000000814000001A00000800000C04809800320E80000600880220D208020208002020000888004608C80D272286311E827A20A5C0150AB90780E0AC0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methyl-3-(4-methyl-2-oxo-chromen-7-yl)oxy-chromen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methyl-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methyl-3-(4-methyl-2-oxochromen-7-yl)oxychromen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methyl-3-(4-methyl-2-oxochromen-7-yl)oxychromen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-7-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-3-(2-keto-4-methyl-chromen-7-yl)oxy-4-methyl-coumarin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H14O6/c1-10-7-18(22)25-17-9-13(4-6-14(10)17)24-19-11(2)15-5-3-12(21)8-16(15)26-20(19)23/h3-9,21H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IYPKLKSDEZNQRI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.07903816 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H14O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C4=C(C=C(C=C4)O)OC3=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C4=C(C=C(C=C4)O)OC3=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.07903816 26 0 0 0 0 0 0 0 1 -1