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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:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Isocoumarans
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Items 25-36 of 72

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  1. 7-bromo-3H-isobenzofuran-1-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 105694-44-8        Compound CID:  13720121
    Formula:  C8H5O2Br        Molecular Weight: 213.03
    IUPAC Name:  7-bromo-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C(=CC=C2)Br)C(=O)O1
    InChIKey: BSKYWJYGAQMPLU-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5BrO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
    Synonyms: AKOS022690781 | 7-Bromo-3H-isobenzofuran-1-one | 7-bromo-1,3-dihydro-2-benzofuran-1-one | AS-61027 | 7-Bromo-2-benzof...
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  2. 5-hydroxy-4-methyl-3H-isobenzofuran-1-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 1194700-73-6        Compound CID:  66643957
    Formula:  C9H8O3        Molecular Weight: 164.16
    IUPAC Name:  5-hydroxy-4-methyl-3H-2-benzofuran-1-one
    SMILES:  CC1=C(C=CC2=C1COC2=O)O
    InChIKey: XCLSUJASPNFYRV-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8O3/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3,10H,4H2,1H3
    Synonyms: 5-hydroxy-4-methylisobenzofuran-1(3H)-one | 1194700-73-6 | 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one | 5-hydroxy-4-me...
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  3. 5-bromo-4-methyl-1,3-dihydro-2-benzofuran-1-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 1255206-67-7        Compound CID:  59568711
    Formula:  C9H7BrO2        Molecular Weight: 227.06
    IUPAC Name:  5-bromo-4-methyl-3H-2-benzofuran-1-one
    SMILES:  CC1=C(C=CC2=C1COC2=O)Br
    InChIKey: IRAKZLQFUGTIGE-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H7BrO2/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3H,4H2,1H3
    Synonyms: 1255206-67-7 | SB32253 | FT-0739623 | IRAKZLQFUGTIGE-UHFFFAOYSA-N | 5-bromo-4-methyl-2-benzofuran-1 (3H)-one | 5-brom...
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  4. 3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 37663-44-8        EC Number: 835-479-2        Compound CID:  22509330
    Formula:  C12H16ClNO        Molecular Weight: 225.72
    IUPAC Name:  spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
    SMILES:  C1CNCCC12C3=CC=CC=C3CO2.Cl
    InChIKey: SFQFBDOOIIHNMY-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
    Synonyms: 3,4-Dichloranilid kyseliny propionove [Czech] | 3H-Spiro(isobenzofuran-1,4-piperidine)HCl | 3H-SPIRO(isobenzofuran-1?...
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  5. MK-7145
    Cas Number: 1255204-84-2        Compound CID:  59568713
    IUPAC Name:  5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
    SMILES:  CC1=C(C=CC2=C1COC2=O)C(CN3CCN(CC3)CC(C4=C(C5=C(C=C4)C(=O)OC5)C)O)O
    InChIKey: OCKGFTQIICXDQW-ZEQRLZLVSA-N
    InChI:  InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-1show more
    Synonyms: CS-0007374 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | 5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5...
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  6. (R)-2-Methoxy-N-(2-methoxy-5-(7-((4-(oxetan-3-yl)morpholin-2-yl)methoxy)-1,3-dihydroisobenzofuran-5-yl)pyridin-3-yl)ethanesulfonamide
    IUPAC Name:  (R)-2-Methoxy-N-(2-methoxy-5-(7-((4-(oxetan-3-yl)morpholin-2-yl)methoxy)-1,3-dihydroisobenzofuran-5-yl)pyridin-3-yl)ethanesulfonamide
    SMILES:  COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OC[C@@H]2OCCN(C2)C2COC2)c2c(c1)COC2
    InChIKey: ZWPJBXLFZFLGMV-OAQYLSRUSA-N
    InChI:  InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21show more
    Synonyms: compound 41
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  7. 5-Amino-2-benzofuran-1(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 65399-05-5
    Formula:  C8H7NO2        Molecular Weight: 149.15
    IUPAC Name:  5-amino-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=CC(=C2)N)C(=O)O1
    InChIKey: ISMUWQMUWFPFBZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2
    Synonyms: 5-amino-2-benzofuran-1(3H)-one | AE-641/30105045 | BB 0217042 | SMR000291450 | 3TMN4XTM2N | AMY36317 | 1(3H)-Isobenzo...
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  8. 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
      Grade & Purity: 
    • ≥97%
    Cas Number: 763114-25-6
    Formula:  C16H8FNO2        Molecular Weight: 265.24
    IUPAC Name:  2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
    SMILES:  C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)F)C#N)OC2=O
    InChIKey: MMPHWTMMVPBHRZ-NVNXTCNLSA-N
    InChI:  InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8-
    Synonyms: 2-Fluoro-5-[[3-oxoisobenzofuran-1(3H)-ylidene]methyl]benzonitrile | 2-Fluoro-5-[(Z)-(3-oxo-2-benzofuran-1(3H)-ylidene...
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  9. 6-Methylisobenzofuran-1(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 72985-23-0        EC Number: ‘852-376-8
    Formula:  C9H8O2        Molecular Weight: 148.16
    IUPAC Name:  6-methyl-3H-2-benzofuran-1-one
    SMILES:  CC1=CC2=C(COC2=O)C=C1
    InChIKey: YNXGZAZFHFMWPY-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8O2/c1-6-2-3-7-5-11-9(10)8(7)4-6/h2-4H,5H2,1H3
    Synonyms: 6-METHYL-1(3H)-ISOBENZOFURANONE | YSZC1909 | Z1255391985 | YNXGZAZFHFMWPY-UHFFFAOYSA-N | F13924 | AKOS022717687 | SCH...
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  10. 5,6-Dimethoxyisobenzofuran-1(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 531-88-4
    Formula:  C10H10O4        Molecular Weight: 194.18
    IUPAC Name:  5,6-dimethoxy-3H-2-benzofuran-1-one
    SMILES:  COC1=C(C=C2C(=C1)COC2=O)OC
    InChIKey: UKFAWRZYFYOXEG-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10O4/c1-12-8-3-6-5-14-10(11)7(6)4-9(8)13-2/h3-4H,5H2,1-2H3
    Synonyms: F11028 | 1(3H)-Isobenzofuranone,6-dimethoxy- | SPBio_001864 | A838556 | Q27194441 | CHEBI:113547 | DTXSID20282301 | S...
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  11. 5-Hydroxyisobenzofuran-1(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 55104-35-3
    Formula:  C8H6O3        Molecular Weight: 150.13
    IUPAC Name:  5-hydroxy-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=CC(=C2)O)C(=O)O1
    InChIKey: QJEJYBQYGQJKSK-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H6O3/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,9H,4H2
    Synonyms: EN300-3176637 | 5-hydroxy-3H-isobenzofuran-1-one | 1(3H)-Isobenzofuranone, 5-hydroxy- | NSC28671 | NSC-28671 | NSC 28...
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  12. 6-Fluoro-2-benzofuran-1(3H)-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 23932-84-5
    Formula:  C8H5FO2        Molecular Weight: 152.13
    IUPAC Name:  6-fluoro-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=C(C=C2)F)C(=O)O1
    InChIKey: LRPVIFOWOOZXEW-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5FO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
    Synonyms: 23932-84-5|6-fluoro-3H-isobenzofuran-1-one|6-Fluoroisobenzofuran-1(3H)-one|6-fluoro-3H-2-benzofuran-1-one|6-fluoro-2-...
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