Cas no 3420-38-0 ( )

  structure
  structure
Product Name: 
CAS No:3420-38-0
MF:C16H14O2
MW:238.281164646149
CID:918838
PubChem ID:296672
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-2-(3-phenyloxiran-2-yl)ethanone
    • 1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-
    • AC1NQ3PP
    • AG-L-65426
    • CTK0E5186
    • CTK8F9214
    • Dihydrovitamin K1
    • trans-1,4-Dihydro-vitamin K1(20)
    • trans-1,4-Diphenyl-2-buten-1,4-diol
    • trans-1,4-Diphenyl-3,4-epoxy-butan-1-on
    • 93022-04-9
    • NSC-167120
    • 1-Phenyl-2-(3-phenyloxiran-2-yl)ethan-1-one
    • NSC-167132
    • NSC167132
    • 3420-38-0
    • NSC167120
    • DTXSID40918776
    •  
    • Inchi: 1S/C16H14O2/c17-14(12-7-3-1-4-8-12)11-15-16(18-15)13-9-5-2-6-10-13/h1-10,15-16H,11H2
    • InChI Key: FUDUKKLZSWAAEW-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2)C1CC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 238.09942
  • Monoisotopic Mass: 238.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 288
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 29.6?2

Experimental Properties

  • PSA: 29.6
  • LogP: 3.39950
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