Cas no 14002-99-4 (2H-1-Benzopyran-2-one,5,7-dimethyl-)

2H-1-Benzopyran-2-one,5,7-dimethyl- structure
14002-99-4 structure
Product Name:2H-1-Benzopyran-2-one,5,7-dimethyl-
CAS No:14002-99-4
MF:C11H10O2
MW:174.195903301239
CID:206868
PubChem ID:95665
Update Time:2025-04-19

2H-1-Benzopyran-2-one,5,7-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-2-one,5,7-dimethyl-
    • 5,7-dimethylchromen-2-one
    • 5,7-dimethyl-2H-1-benzopyran-2-one
    • 5,7-dimethyl-2H-chromen-2-one
    • 5,7-Dimethylcoumarin
    • AC1L3UU0
    • AC1Q69VG
    • AR-1G6370
    • CTK4C2042
    • NSC28554
    • 2H-1-Benzopyran-2-one, 5,7-dimethyl- (9CI)
    • 14002-99-4
    • II2R3NWK87
    • 2H-1-Benzopyran-2-one, 5,7-dimethyl-
    • 2H-1-Benzopyran-2-one,7-dimethyl-
    • DTXSID50161216
    • NSC 28554
    • SCHEMBL8750160
    • COUMARIN, 5,7-DIMETHYL-
    • NSC-28554
    • UNII-II2R3NWK87
    • Inchi： 1S/C11H10O2/c1-7-5-8(2)9-3-4-11(12)13-10(9)6-7/h3-6H,1-2H3
    • InChI Key： LSVVSAUXNLDZOX-UHFFFAOYSA-N
    • SMILES： O1C(C=CC2=C1C=C(C)C=C2C)=O

Computed Properties

  • Exact Mass: 174.0681
  • Monoisotopic Mass: 174.06808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 245
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.164
  • Boiling Point: 325.7°Cat760mmHg
  • Flash Point: 134.4°C
  • Refractive Index: 1.574
  • PSA: 26.3

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