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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 49-60 of 72

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  1. 3-Benzalphthalide
      Grade & Purity: 
    • ≥99%(GC)
    Cas Number: 575-61-1
    Formula:  C15H10O2        Molecular Weight: 222.24
    IUPAC Name:  (3Z)-3-benzylidene-2-benzofuran-1-one
    SMILES:  C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
    InChIKey: YRTPZXMEBGTPLM-UVTDQMKNSA-N
    InChI:  InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
    Synonyms: 3-Benzalphthalide | NSC2824 | NSC-2824 | R93GN14K61 | 1(3H)-isobenzofuranone, 3-(phenylmethylene)-, (3Z)- | AC-31127 ...
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  2. 1,3-Dihydroisobenzofuran-5-amine
      Grade & Purity: 
    • ≥97%
    Cas Number: 61964-08-7
    Formula:  C8H9NO        Molecular Weight: 135.16
    IUPAC Name:  1,3-dihydro-2-benzofuran-5-amine
    SMILES:  C1C2=C(CO1)C=C(C=C2)N
    InChIKey: GKULNTLNUHOMGD-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
    Synonyms: 1,3-dihydroisobenzofuran-5-amine|61964-08-7|1,3-Dihydro-2-benzofuran-5-amine|1,3-Dihydroisobenzofuran-5-ylamine|1,3-d...
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  3. 1,3-Dihydro-2-benzofuran-4-amine
      Grade & Purity: 
    • ≥96%
    Cas Number: 98475-10-6
    Formula:  C8H9NO        Molecular Weight: 135.2
    IUPAC Name:  1,3-dihydro-2-benzofuran-4-amine
    SMILES:  C1C2=C(CO1)C(=CC=C2)N
    InChIKey: QYLMUORJBFEXRD-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H9NO/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3H,4-5,9H2
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  4. 1,3-Dihydro-1-methoxyisobenzofuran
      Grade & Purity: 
    • ≥97%
    Cas Number: 67536-29-2
    Formula:  C9H10O2        Molecular Weight: 150.18
    IUPAC Name:  1-methoxy-1,3-dihydro-2-benzofuran
    SMILES:  COC1C2=CC=CC=C2CO1
    InChIKey: HHFOTZJVYJNYJC-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H10O2/c1-10-9-8-5-3-2-4-7(8)6-11-9/h2-5,9H,6H2,1H3
    Synonyms: MFCD12407127 | 1,3-Dihydro-1-methoxyisobenzofuran | 1-METHOXY-1,3-DIHYDRO-2-BENZOFURAN | 1-Methoxyisocoumaran | T7121...
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  5. 4-Bromo-2-benzofuran-1(3H)-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 102308-43-0
    Formula:  C8H5BrO2        Molecular Weight: 213.03
    IUPAC Name:  4-bromo-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=CC=C2Br)C(=O)O1
    InChIKey: MACJSJRQNWAGJM-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
    Synonyms: 102308-43-0|4-Bromo-2-benzofuran-1[3H]-one|4-bromoisobenzofuran-1(3H)-one|4-bromo-3H-isobenzofuran-1-one|4-bromo-2-be...
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  6. 4-Bromo-1,3-dihydro-2-benzofuran
      Grade & Purity: 
    • ≥95%
    Cas Number: 1402667-16-6
    Formula:  C8H7BrO        Molecular Weight: 199
    IUPAC Name:  4-bromo-1,3-dihydro-2-benzofuran
    SMILES:  C1C2=C(CO1)C(=CC=C2)Br
    InChIKey: SBASERJDRPYLCK-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7BrO/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3H,4-5H2
    Synonyms: 4-Bromo-1,3-dihydroisobenzofuran|1402667-16-6|4-BROMO-1,3-DIHYDRO-2-BENZOFURAN|Isobenzofuran, 4-bromo-1,3-dihydro-|MF...
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  7. 5,6-Dimethoxy-3H-isobenzofuran-1-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 759409-69-3
    Formula:  C10H10O4        Molecular Weight: 194.19
    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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  8. 3-Propylidenephthalide
      Grade & Purity: 
    • ≥96%(GC)
    • mixture of cis and trans isomers
    Cas Number: 17369-59-4        Compound CID:  5373603
    Formula:  C11H10O2        Molecular Weight: 174.2
    IUPAC Name:  (3Z)-3-propylidene-2-benzofuran-1-one
    SMILES:  CCC=C1C2=CC=CC=C2C(=O)O1
    InChIKey: NGSZDVVHIGAMOJ-YHYXMXQVSA-N
    InChI:  InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
    Synonyms: Propylidenephthalide | NCGC00091892-02 | Q27283180 | 1(3H)-Isobenzofuranone, 3-propylidene- | CHEBI:197073 | CS-04317...
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  9. 3-Butylidenephthalide
      Grade & Purity: 
    • ≥96%
    • mixture of cis and trans isomers
    Cas Number: 551-08-6        EC Number: 208-991-3
    Formula:  C12H12O2        Molecular Weight: 188.22
    IUPAC Name:  (3Z)-3-butylidene-2-benzofuran-1-one
    SMILES:  CCCC=C1C2=CC=CC=C2C(=O)O1
    InChIKey: WMBOCUXXNSOQHM-FLIBITNWSA-N
    InChI:  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-
    Synonyms: InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8 | BUTYLIDENEPHTHALIDE, (Z)- | NSC325307...
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  10. Mycophenolic acid
    Cas Number: 24280-93-1        EC Number: 246-119-3
    Formula:  C17H20O6        Molecular Weight: 320.34
    IUPAC Name:  (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O
    InChIKey: HPNSFSBZBAHARI-RUDMXATFSA-N
    InChI:  InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
    Synonyms: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | DTXCID4028882 | ...
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  11. Mycophenolate Mofetil
      Grade & Purity: 
    • ≥98%
    Cas Number: 115007-34-6
    Formula:  C23H31NO7        Molecular Weight: 433.49
    IUPAC Name:  2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O
    InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N
    InChI:  InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
    Synonyms: mycophenolate mofetil|128794-94-5|CellCept|115007-34-6|Myfenax|RS 61443|myclausen|RS-61443|TM-MMF|Mycophenylate mofet...
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  12. Mycophenolate mofetil
    Cas Number: 128794-94-5
    Formula:  C23H31NO7        Molecular Weight: 433.49
    IUPAC Name:  2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O
    InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N
    InChI:  InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
    Synonyms: 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate | AB01274794...
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