Cas no 31297-30-0 (2,3-Benzofurandione,4,7-dimethyl-)

2,3-Benzofurandione,4,7-dimethyl- structure
31297-30-0 structure
Product Name:2,3-Benzofurandione,4,7-dimethyl-
CAS No:31297-30-0
MF:C10H8O3
MW:176.168723106384
CID:318547
PubChem ID:313093
Update Time:2025-04-19

2,3-Benzofurandione,4,7-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,3-Benzofurandione,4,7-dimethyl-
    • 4,7-dimethyl-1-benzofuran-2,3-dione
    • 4,7-Dimethyl-2,3-dioxo-2,3-dihydrobenzofuran
    • 4,7-dimethylbenzofuran-2,3-dione
    • 4,7-dimethyl-benzofuran-2,3-dione
    • 4,7-Dimethylcoumaran-2,3-dion
    • AC1L7MPP
    • Benzofuran-2,3-dione, 4,7-dimethyl-2,3-dihydro-
    • NSC226193
    • NSC-226193
    • AKOS004121655
    • 31297-30-0
    • DTXSID20310370
    • 4,7-Dimethyl-2,3-benzofurandione
    • NFCVZXQKIJAKFD-UHFFFAOYSA-N
    • NSC 226193
    • UNII-OR6KE18T2N
    • 2,3-Benzofurandione, 2,3-dihydro-4,7-dimethyl-
    • OR6KE18T2N
    • 4,7-Dimethyl-1-benzofuran-2,3-dione #
    • Inchi： 1S/C10H8O3/c1-5-3-4-6(2)9-7(5)8(11)10(12)13-9/h3-4H,1-2H3
    • InChI Key： NFCVZXQKIJAKFD-UHFFFAOYSA-N
    • SMILES： O1C(C(C2C(C)=CC=C(C)C1=2)=O)=O

Computed Properties

  • Exact Mass: 176.04734
  • Monoisotopic Mass: 176.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 259
  • 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: 2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.303
  • Boiling Point: 318.2°C at 760 mmHg
  • Flash Point: 151.4°C
  • Refractive Index: 1.585
  • PSA: 43.37
  • LogP: 1.40510

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