5281707 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 8 8 8 8 8 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 2 2 3 4 4 5 5 6 6 6 7 8 8 9 9 10 11 13 13 14 14 15 15 16 16 17 17 19 19 7 10 11 12 12 18 27 20 28 7 8 12 9 10 13 11 14 15 16 17 21 19 22 18 23 20 24 18 25 20 26 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 2 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 5.9065 8.0505 6.7634 2.417 10.6901 6.4033 6.7123 5.4092 7.6904 5.1028 8.3596 7.0724 4.7276 7.997 4.0936 9.3816 3.7133 3.3942 9.0142 9.7112 4.9255 7.5768 3.9094 9.7912 3.2998 9.2035 2 10.884 -1.1814 0.8871 2.046 -0.2772 -1.4571 0.3518 -0.5992 0.3492 -0.8071 -0.5964 -0.064 1.095 1.1287 -1.8026 -0.8282 -0.2648 0.9204 -0.0647 -2.0271 -1.253 1.7163 -2.2586 -1.4202 0.2007 1.3824 -2.6174 0.1816 -2.046 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 6 6 6 7 8 8 9 9 10 11 13 14 15 16 17 19 7 10 11 12 7 8 12 9 10 13 11 14 15 16 17 19 18 20 18 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 411 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 2 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 00000371C070380000000000000000000000000000012000000034608000000000004891F400001A00000800000C04809800300EC00006408802A0D208000208002420000888010608C80C27368E351A827B60A5E01508B987CBECFCCEA0000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-dihydroxy-6-benzofuro[3,2-c][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZZIALNLLNHEQPJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.03717335 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H8O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.03717335 20 0 0 0 0 0 0 0 1 -1