This is a demo store. No orders will be fulfilled.
Isocoumarans
Description:
Compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
Ancestors:
-
1，3-Dihydroisobenzofuran-5-carbaldehydeFormula: C9H8O2 Molecular Weight: 148.16IUPAC Name: 1,3-dihydro-2-benzofuran-5-carbaldehydeSMILES: C1C2=C(CO1)C=C(C=C2)C=OInChIKey: WAYCQEPIQNTRDJ-UHFFFAOYSA-NInChI: InChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2 -
1，3-Dihydro-2-Benzofuran-5-YlmethanolCas Number: 89424-84-0 Compound CID: 19809558Formula: C9H10O2 Molecular Weight: 150.17IUPAC Name: 1,3-dihydro-2-benzofuran-5-ylmethanolSMILES: C1C2=C(CO1)C=C(C=C2)COInChIKey: VPKXUXMJVPZFBB-UHFFFAOYSA-NInChI: InChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2
-
1-Oxo-1，3-dihydroisobenzofuran-5-carbaldehydeCas Number: 333333-34-9 Compound CID: 9877463IUPAC Name: 1-oxo-3H-2-benzofuran-5-carbaldehydeSMILES: C1C2=C(C=CC(=C2)C=O)C(=O)O1InChIKey: DBSGLQIKLWDTTD-UHFFFAOYSA-NInChI: InChI=1S/C9H6O3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-4H,5H2
-
7-Nitro-1(3H)-isobenzofuranoneCas Number: 42760-46-3 Compound CID: 848528Formula: C8H5NO4 Molecular Weight: 179.13IUPAC Name: 7-nitro-3H-2-benzofuran-1-oneSMILES: C1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1InChIKey: BFIGXRQYMBKAIR-UHFFFAOYSA-NInChI: InChI=1S/C8H5NO4/c10-8-7-5(4-13-8)2-1-3-6(7)9(11)12/h1-3H,4H2
-
3，3-Dimethyl-3H-spiro[benzo[c]furan-1，4'-piperidine] hydrochlorideCas Number: 1172717-60-0 Compound CID: 44119400Formula: C14H20ClNO Molecular Weight: 253.77IUPAC Name: 3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];hydrochlorideSMILES: CC1(C2=CC=CC=C2C3(O1)CCNCC3)C.ClInChIKey: WKKLXFVOJPJHAE-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO.ClH/c1-13(2)11-5-3-4-6-12(11)14(16-13)7-9-15-10-8-14;/h3-6,15H,7-10H2,1-2H3;1H
-
(Z)-ButylidenephthalideCas Number: 72917-31-8Formula: C12H12O2 Molecular Weight: 188.22IUPAC Name: (3Z)-3-butylidene-2-benzofuran-1-oneSMILES: CCCC=C1C2=CC=CC=C2C(=O)O1InChIKey: WMBOCUXXNSOQHM-FLIBITNWSA-NInChI: InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
-
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
-
1,3-dihydro-2-benzofuran-5-carboxylic acidCas Number: 933694-57-6 Compound CID: 15788343Formula: C9H8O3 Molecular Weight: 164.16IUPAC Name: 1,3-dihydro-2-benzofuran-5-carboxylic acidSMILES: C1C2=C(CO1)C=C(C=C2)C(=O)OInChIKey: QQYBGVFMYNTJDJ-UHFFFAOYSA-NInChI: InChI=1S/C9H8O3/c10-9(11)6-1-2-7-4-12-5-8(7)3-6/h1-3H,4-5H2,(H,10,11)
-
6-Chloroisobenzofuran-1(3H)-oneCas Number: 19641-29-3 Compound CID: 7174165Formula: C8H5ClO2 Molecular Weight: 168.58IUPAC Name: 6-chloro-3H-2-benzofuran-1-oneSMILES: C1C2=C(C=C(C=C2)Cl)C(=O)O1InChIKey: NUAVXUHBPNMQEV-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2Synonyms: 6-Chloro-3H-isobenzofuran-1-one
-
2-(1,3-dihydroisobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCas Number: 1352037-60-5 Compound CID: 79662198Formula: C14H19BO3 Molecular Weight: 246.11SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COC3)C=C2InChIKey: JHDYIHQRIANGLR-UHFFFAOYSA-NInChI: InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h5-7H,8-9H2,1-4H3
-
-
LEO 39652Cas Number: 1445656-91-6 Compound CID: 71611998Formula: C23H23N3O5 Molecular Weight: 421.45IUPAC Name: 2-methylpropyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylateSMILES: CC(C)COC(=O)C1(CC1)C2=NN3C(=CC=C(C3=N2)OC)C4=CC5=C(C=C4)C(=O)OC5InChIKey: LUUUHUYQTLUIDG-UHFFFAOYSA-NInChI: InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3
