Cas no 5410-96-8 (2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro-)

2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro- structure
5410-96-8 structure
Product Name:2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro-
CAS No:5410-96-8
MF:C12H16O3
MW:208.253643989563
CID:386809
PubChem ID:5354267
Update Time:2025-04-19

2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro-
    • 3-(2,5-dimethylhexa-1,5-dienyl)oxolane-2,5-dione
    • 3-[(1Z)-2,5-dimethylhexa-1,5-dienyl]oxolane-2,5-dione
    • 3-(2,5-dimethylhexa-1,5-dien-1-yl)dihydrofuran-2,5-dione
    • AC1L59PL
    • AG-F-86975
    • AG-J-28612
    • CTK4J9639
    • CTK5J8691
    • NSC-4805
    • 5410-96-8
    • NSC4805
    • Inchi: 1S/C12H16O3/c1-8(2)4-5-9(3)6-10-7-11(13)15-12(10)14/h6,10H,1,4-5,7H2,2-3H3/b9-6-
    • InChI Key: KSTGEJXIDQMMKZ-TWGQIWQCSA-N
    • SMILES: O1C(CC(C1=O)/C=C(/C)\CCC(=C)C)=O

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.12
  • Boiling Point: 328.3°Cat760mmHg
  • Flash Point: 148°C
  • Refractive Index: 1.543
  • PSA: 43.37
  • LogP: 2.37870
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