5318565 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 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 8 9 9 10 12 12 13 13 15 15 15 16 16 16 7 14 8 15 10 16 11 20 14 7 9 12 8 11 10 17 11 13 18 14 19 21 22 23 24 25 26 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 2 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 6.029 4.269 2.5369 2.5369 7.7991 5.135 5.135 4.269 4.269 3.403 3.403 6.029 6.935 6.935 3.403 2.5369 4.269 6.0218 7.4708 2 3.093 2.866 3.713 3.1569 2.5369 1.9169 -0.7847 -1.75 1.25 -0.75 -0.7742 0.75 -0.25 -0.75 1.25 0.75 -0.25 1.2847 0.7708 -0.2708 -2.25 2.25 1.87 1.9046 1.0829 -0.44 -1.7131 -2.56 -2.7869 2.25 2.87 2.25 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 6 7 8 9 10 12 13 7 14 7 9 12 8 11 10 11 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04809802320E80000600880220D208000208002020000888000688C80D272286311A827A23A5C0150BB987C0E03C0E21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-6,8-dimethoxy-chromen-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-6,8-dimethoxy-1-benzopyran-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-6,8-dimethoxychromen-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-6,8-dimethoxychromen-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,8-dimethoxy-7-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-6,8-dimethoxy-coumarin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HOEVRHHMDJKUMZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.05282342 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H10O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 65 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.05282342 16 0 0 0 0 0 0 0 1 -1