Cas no 16499-05-1 (2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione,7,8-dihydro-8,8-dimethyl-)

2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione,7,8-dihydro-8,8-dimethyl- structure
16499-05-1 structure
Product Name:2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione,7,8-dihydro-8,8-dimethyl-
CAS No:16499-05-1
MF:C14H12O4
MW:244.242684364319
CID:161570
PubChem ID:177751
Update Time:2025-04-19

2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione,7,8-dihydro-8,8-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione,7,8-dihydro-8,8-dimethyl-
    • 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
    • 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione
    • 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione
    • Graveolone
    • 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
    • InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H
    • 16499-05-1
    • 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione
    • CHEBI:174258
    • 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione
    • 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione #
    • 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b
    • WEDGVCZUPFZNDE-UHFFFAOYSA-N
    • 2,2-dimethyl-3H-pyrano[5,6-g]chromene-4,8-quinone
    • 6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione
    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-
    • DTXSID10167830
    • 8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione
    • XG163695
    • 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2,6-dione
    • Inchi： 1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3
    • InChI Key： WEDGVCZUPFZNDE-UHFFFAOYSA-N
    • SMILES： O1C2C=C3C(C=CC(=O)O3)=CC=2C(CC1(C)C)=O

Computed Properties

  • Exact Mass: 244.07356
  • Monoisotopic Mass: 244.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 424
  • 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: 52.6?2

Experimental Properties

  • Density: 1.286
  • Melting Point: 177.5-178°C
  • Boiling Point: 439.7°Cat760mmHg
  • Flash Point: 199°C
  • Refractive Index: 1.577
  • PSA: 52.6

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