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Isocoumarans
Description:
Compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
Ancestors:
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[1，3]dioxolo[4，5-f]isobenzofuran-5(7H)-oneCas Number: 4792-36-3Formula: C9H6O4 Molecular Weight: 178.1415SMILES: C1C2=CC3=C(C=C2C(=O)O1)OCO3InChIKey: QIYDTIMMZOUCGL-UHFFFAOYSA-NInChI: InChI=1S/C9H6O4/c10-9-6-2-8-7(12-4-13-8)1-5(6)3-11-9/h1-2H,3-4H2 -
Isobenzofuran， 1，3-dihydro-1，1，3，3-tetramethyl-Cas Number: 113710-83-1Formula: C12H16O Molecular Weight: 176.2548SMILES: CC1(C2=CC=CC=C2C(O1)(C)C)CInChIKey: XVSVGIRMJVHKHM-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8H,1-4H3
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4-Methyl-1-oxo-1，3-dihydroisobenzofuran-5-yl trifluoromethanesulfonateCas Number: 1255206-73-5 Compound CID: 86647292Formula: C10H7F3O5S Molecular Weight: 296.22IUPAC Name: (4-methyl-1-oxo-3H-2-benzofuran-5-yl) trifluoromethanesulfonateSMILES: CC1=C(C=CC2=C1COC2=O)OS(=O)(=O)C(F)(F)FInChIKey: VEUQZWVGMYVTMY-UHFFFAOYSA-NInChI: InChI=1S/C10H7F3O5S/c1-5-7-4-17-9(14)6(7)2-3-8(5)18-19(15,16)10(11,12)13/h2-3H,4H2,1H3
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1(3H)-Isobenzofuranone， 4，7-diMethyl-Cas Number: 54598-91-3Formula: C10H10O2 Molecular Weight: 162.1852SMILES: CC1=C2COC(=O)C2=C(C=C1)CInChIKey: JNXGHQDZQVYCKB-UHFFFAOYSA-NInChI: InChI=1S/C10H10O2/c1-6-3-4-7(2)9-8(6)5-12-10(9)11/h3-4H,5H2,1-2H3
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FurametpyrCas Number: 123572-88-3 Compound CID: 3083543Formula: C17H20ClN3O2 Molecular Weight: 333.81IUPAC Name: 5-chloro-1,3-dimethyl-N-(1,1,3-trimethyl-3H-2-benzofuran-4-yl)pyrazole-4-carboxamideSMILES: CC1C2=C(C=CC=C2NC(=O)C3=C(N(N=C3C)C)Cl)C(O1)(C)CInChIKey: NRTLIYOWLVMQBO-UHFFFAOYSA-NInChI: InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)
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7-Aminoisobenzofuran-1(3H)-oneCas Number: 3883-64-5 Compound CID: 10909726Formula: C8H7NO2 Molecular Weight: 149.15IUPAC Name: 7-amino-3H-2-benzofuran-1-oneSMILES: C1C2=C(C(=CC=C2)N)C(=O)O1InChIKey: ZOKRDQGDSFSYSE-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
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6-Chloro-3H-spiro[isobenzofuran-1，4'-piperidine] hydrochlorideCas Number: 1359703-79-9 Compound CID: 57416990Formula: C12H15Cl2NO Molecular Weight: 260.17IUPAC Name: 5-chlorospiro[1H-2-benzofuran-3,4'-piperidine];hydrochlorideSMILES: C1CNCCC12C3=C(CO2)C=CC(=C3)Cl.ClInChIKey: ZFJLJHHYHNRPEY-UHFFFAOYSA-NInChI: InChI=1S/C12H14ClNO.ClH/c13-10-2-1-9-8-15-12(11(9)7-10)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
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5-Bromo-1，3-Dihydro-2-BenzofuranIUPAC Name: 5-bromo-1,3-dihydro-2-benzofuranSMILES: C1C2=C(CO1)C=C(C=C2)BrInChIKey: NZZWXNMQOCNDKD-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2
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5-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)isobenzofuran-1(3H)-oneCas Number: 862081-37-6 Compound CID: 58074623Formula: C14H17BO4 Molecular Weight: 260.1IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-oneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)OC3InChIKey: OPVQSJKJDSJOJD-UHFFFAOYSA-NInChI: InChI=1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-17-12(11)16/h5-7H,8H2,1-4H3
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4-Hydroxyisobenzofuran-1(3H)-oneCas Number: 13161-32-5 Compound CID: 12662077Formula: C8H6O3 Molecular Weight: 150.13IUPAC Name: 4-hydroxy-3H-2-benzofuran-1-oneSMILES: C1C2=C(C=CC=C2O)C(=O)O1InChIKey: ZSCIMKFWMUXNBS-UHFFFAOYSA-NInChI: InChI=1S/C8H6O3/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3,9H,4H2
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4-ChlorophthalideCas Number: 52010-22-7 Compound CID: 3040300Formula: C8H5ClO2 Molecular Weight: 168.58IUPAC Name: 4-chloro-3H-2-benzofuran-1-oneSMILES: C1C2=C(C=CC=C2Cl)C(=O)O1InChIKey: PLBDNGRGWFOSCH-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2Synonyms: 4-Chloroisobenzofuran-1(3H)-one
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4-Amino-6-fluoroisobenzofuran-1(3H)-oneCas Number: 1207453-91-5 Compound CID: 67258974Formula: C8H6FNO2 Molecular Weight: 167.14IUPAC Name: 4-amino-6-fluoro-3H-2-benzofuran-1-oneSMILES: C1C2=C(C=C(C=C2N)F)C(=O)O1InChIKey: DSZCXDVJAIFZLL-UHFFFAOYSA-NInChI: InChI=1S/C8H6FNO2/c9-4-1-5-6(7(10)2-4)3-12-8(5)11/h1-2H,3,10H2
