Cas no 95639-21-7 (4H-1-Benzopyran-4-one,6-ethyl-)

4H-1-Benzopyran-4-one,6-ethyl- structure
95639-21-7 structure
Product Name:4H-1-Benzopyran-4-one,6-ethyl-
CAS No:95639-21-7
MF:C11H10O2
MW:174.195903301239
CID:799649
PubChem ID:53427727
Update Time:2025-04-19

4H-1-Benzopyran-4-one,6-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,6-ethyl-
    • 6-ETHYL-4H-CHROMEN-4-ONE
    • 6-ethylchromen-4-one
    • AKOS006279479
    • SCHEMBL12043924
    • DTXSID10699626
    • 6-Ethyl-4H-1-benzopyran-4-one
    • 95639-21-7
    • 6-ethylchromone
    • Inchi: 1S/C11H10O2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
    • InChI Key: BTFKSYQTYZVFFF-UHFFFAOYSA-N
    • SMILES: O1C=CC(C2=C1C=CC(=C2)CC)=O

Computed Properties

  • Exact Mass: 174.06800
  • Monoisotopic Mass: 174.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 232
  • 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: 2.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 30.21000
  • LogP: 2.35540
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