Cas no 51279-50-6 (Ethanone, 1-(methoxyphenyl)-)

Ethanone, 1-(methoxyphenyl)- structure
Ethanone, 1-(methoxyphenyl)- structure
Product Name:Ethanone, 1-(methoxyphenyl)-
CAS No:51279-50-6
MF:C9H10O2
MW:150.1745
CID:362680

Ethanone, 1-(methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(methoxyphenyl)-
    • Inchi: InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
    • InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N
    • SMILES: COC1C=CC=CC=1C(=O)C

Computed Properties

  • Exact Mass: 150.0681
  • Monoisotopic Mass: 150.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 143
  • 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: 1.8
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: Transparent colorless liquid
  • Density: 1.09
  • Boiling Point: 131℃ (18 mmHg)
  • Flash Point: 108℃
  • Refractive Index: 1.5383-1.5403
  • PSA: 26.3
  • LogP: 1.89780

Ethanone, 1-(methoxyphenyl)- Security Information

  • Storage Condition:NoStore…In direct sunlight areas. Store in tightly closed containers. Store in a cool place\desiccation\Well ventilated area,Keep away from incompatible substances.
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