638309 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 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 4 5 6 6 7 7 8 9 11 11 12 12 13 13 14 14 15 15 16 17 17 18 5 8 9 10 10 5 6 10 7 8 11 9 12 13 14 15 19 17 20 16 21 18 22 16 23 24 18 25 26 1 1 1 1 2 2 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 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 4.5124 6.6564 5.3692 5.0091 5.3181 4.015 6.2962 3.7086 6.9654 5.6782 3.3334 6.6028 2.6994 7.9875 2.3191 2 7.62 8.317 3.5313 6.1826 2.5152 8.397 1.9056 1.3942 7.8093 8.9239 -1.1909 0.8776 2.0365 0.3423 -0.6087 0.3398 -0.8166 -0.6059 -0.0735 1.0855 1.1193 -1.8121 -0.8377 -0.2743 0.9109 -0.0742 -2.0365 -1.2625 1.7068 -2.268 -1.4297 0.1912 1.3729 -0.2059 -2.6269 -1.389 8 8 8 8 8 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 7 8 9 11 12 13 14 15 17 5 8 9 10 5 6 10 7 8 11 9 12 13 14 15 17 16 18 16 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 354 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 00000371C070300000000000000000000000000000012000000034608000000000004891F400001A00000000000C04809800300EC00004408802A0D208000208002420000888010608C80C27368C351A823B60A5E01108A987CBCCF0CE80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzofuro[3,2-c]chromen-6-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-benzofuro[3,2-c][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1]benzofuro[3,2-c]chromen-6-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1]benzofuro[3,2-c]chromen-6-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1]benzofuro[3,2-c]chromen-6-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzofuro[3,2-c]chromen-6-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JBIZUYWOIKFETJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.047344113 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H8O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=C(O2)C4=CC=CC=C4OC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=C(O2)C4=CC=CC=C4OC3=O 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 2021.10.14 236.047344113 18 0 0 0 0 0 0 0 1 -1