Cas no 3468-00-6 (4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propen-1-yl)-)

4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propen-1-yl)- structure
3468-00-6 structure
Product Name:4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propen-1-yl)-
CAS No:3468-00-6
MF:C19H16O2
MW:276.329145431519
CID:307487
PubChem ID:6437299
Update Time:2025-04-19

4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propen-1-yl)-
    • 3-methyl-2-phenyl-8-(1-propenyl)-4-benzopyrone
    • 3-Methyl-2-phenyl-8-(1-propenyl)-4H-1-benzopyran-4-one
    • Einecs 222-424-7
    • (E)-3-METHYL-2-PHENYL-8-(PROP-1-ENYL)-4H-CHROMEN-4-ONE
    • (E)-3-Methyl-2-phenyl-8-(prop-1-en-1-yl)-4H-chromen-4-one
    • 3468-00-6
    • 3-methyl-2-phenyl-8-[(1E)-prop-1-en-1-yl]-4H-chromen-4-one
    • EC 222-424-7
    • 97070-55-8
    • 3-methyl-2-phenyl-8-[(E)-prop-1-enyl]chromen-4-one
    • Inchi: 1S/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-12H,1-2H3/b8-3+
    • InChI Key: FDZILCXQMSTFED-FPYGCLRLSA-N
    • SMILES: O1C(C2C=CC=CC=2)=C(C)C(C2C=CC=C(/C=C/C)C1=2)=O

Computed Properties

  • Exact Mass: 276.11500
  • Monoisotopic Mass: 276.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 454
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.159
  • Boiling Point: 441.8°Cat760mmHg
  • Flash Point: 197.3°C
  • Refractive Index: 1.63
  • PSA: 30.21000
  • LogP: 4.80150
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