Cas no 83536-60-1 (1,3-Isobenzofurandione,trimethyl- (9CI))

1,3-Isobenzofurandione,trimethyl- (9CI) structure
83536-60-1 structure
Product Name:1,3-Isobenzofurandione,trimethyl- (9CI)
CAS No:83536-60-1
MF:C11H10O3
MW:190.195303440094
CID:733712
PubChem ID:186278
Update Time:2025-04-19

1,3-Isobenzofurandione,trimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Isobenzofurandione,trimethyl- (9CI)
    • 4,5,6-trimethyl-2-benzofuran-1,3-dione
    • 1,3-Isobenzofurandione, trimethyl-
    • SCHEMBL11348610
    • DTXSID601003530
    • 83536-60-1
    • Inchi: 1S/C11H10O3/c1-5-4-8-9(7(3)6(5)2)11(13)14-10(8)12/h4H,1-3H3
    • InChI Key: XOXALLUPWZVQKA-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC(C)=C(C)C(C)=C2C1=O)=O

Computed Properties

  • Exact Mass: 190.063
  • Monoisotopic Mass: 190.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 284
  • 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: 2.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.256
  • Boiling Point: 367.4°Cat760mmHg
  • Flash Point: 179.7°C
  • Refractive Index: 1.576
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