Cas no 57529-10-9 (2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-)

2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl- structure
57529-10-9 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-
CAS No:57529-10-9
MF:C11H10O3
MW:190.195303440094
CID:345022
PubChem ID:54716737
Update Time:2025-04-19

2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-
    • 4-hydroxy-5,7-dimethylchromen-2-one
    • 57529-10-9
    • 4-Hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one
    • DTXSID40716214
    • MBINTQJWQBDYJH-UHFFFAOYSA-N
    • SCHEMBL5337247
    • 5,7-dimethyl-4-hydroxy-coumarin
    • Inchi: 1S/C11H10O3/c1-6-3-7(2)11-8(12)5-10(13)14-9(11)4-6/h3-5,12H,1-2H3
    • InChI Key: MBINTQJWQBDYJH-UHFFFAOYSA-N
    • SMILES: O1C(C=C(C2=C1C=C(C)C=C2C)O)=O

Computed Properties

  • Exact Mass: 190.063
  • Monoisotopic Mass: 190.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 282
  • 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: 46.5?2

Experimental Properties

  • PSA: 46.53
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