Cas no 918307-00-3 (4H-1-Benzopyran-4-one, 6-(2-hydroxy-5-methylbenzoyl)-)

4H-1-Benzopyran-4-one, 6-(2-hydroxy-5-methylbenzoyl)- structure
918307-00-3 structure
Product Name:4H-1-Benzopyran-4-one, 6-(2-hydroxy-5-methylbenzoyl)-
CAS No:918307-00-3
MF:C17H12O4
MW:280.274785041809
CID:778185
PubChem ID:71427575
Update Time:2025-04-19

4H-1-Benzopyran-4-one, 6-(2-hydroxy-5-methylbenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one, 6-(2-hydroxy-5-methylbenzoyl)-
    • 6-(2-hydroxy-5-methylbenzoyl)chromen-4-one
    • DTXSID50846314
    • 918307-00-3
    • 6-(2-Hydroxy-5-methylbenzoyl)-4H-chromen-4-one
    • 6-(2-Hydroxy-5-methylbenzoyl)-4H-1-benzopyran-4-one
    • Inchi: 1S/C17H12O4/c1-10-2-4-14(18)13(8-10)17(20)11-3-5-16-12(9-11)15(19)6-7-21-16/h2-9,18H,1H3
    • InChI Key: XDLYJUYOMURJLC-UHFFFAOYSA-N
    • SMILES: O1C=CC(C2=C1C=CC(C(C1C(=CC=C(C)C=1)O)=O)=C2)=O

Computed Properties

  • Exact Mass: 280.07355886g/mol
  • Monoisotopic Mass: 280.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 456
  • 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: 3.4
  • Topological Polar Surface Area: 63.6?2
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