Cas no 30140-42-2 (1,3-Isobenzofurandione,methyl-)

1,3-Isobenzofurandione,methyl- structure
30140-42-2 structure
Product Name:1,3-Isobenzofurandione,methyl-
CAS No:30140-42-2
MF:C9H6O3
MW:162.142142772675
CID:311348
PubChem ID:98500
Update Time:2025-04-19

1,3-Isobenzofurandione,methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Isobenzofurandione,methyl-
    • Methylphthalicanhydride
    • 4-methylisobenzofuran-1,3-dione
    • 4-methyl-isobenzofuran-1,3-dione
    • M1464
    • SCHEMBL166198
    • MFCD00047316
    • NSC61875
    • 4-Methyl-1,3-isobenzofurandione
    • 4-Methyl-2-benzofuran-1,3-dione
    • NSC 61875
    • METHYLPHTHALIC ANHYDRIDE
    • 3-Methylphthalic anhydride
    • 4792-30-7
    • NSC-61875
    • FT-0616175
    • AS-33235
    • Phthalic anhydride, 3-methyl-
    • SY049258
    • CHEMBL1814074
    • UNII-BJC50EL71I
    • 2,3-Toluenedicarboxylic anhydride
    • W-202838
    • A19948
    • 4-methyl-1,3-dihydro-2-benzofuran-1,3-dione
    • 2-Methylphthalic anhydride
    • 3-Methyl phthalic anhydride
    • BJC50EL71I
    • FT-0636751
    • EN300-82741
    • AKOS004122954
    • CS-0153411
    • NS00031736
    • 4-Methyl-2-benzofuran-1,3-dione #
    • 1,3-Isobenzofurandione, 4-methyl-
    • DTXSID0063606
    • EINECS 225-344-0
    • AM20040541
    • 1,3-Isobenzofurandione, methyl-
    • 30140-42-2
    • Inchi: 1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3
    • InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=C(C)C=2C1=O)=O

Computed Properties

  • Exact Mass: 162.031694
  • Monoisotopic Mass: 162.031694
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Density: 1.364
  • Boiling Point: 315.6°Cat760mmHg
  • Flash Point: 153.3°C

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