Cas no 157897-16-0 (Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI))

Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI) structure
157897-16-0 structure
Product Name:Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI)
CAS No:157897-16-0
MF:C8H12O
MW:124.18028
MDL:MFCD30347873
CID:107933
PubChem ID:45085173
Update Time:2024-02-29

Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[1,1'-bicyclopropyl]-2-yl-, trans- (9CI)
    • Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI)
    • CID 134690631
    • rac-1-(1R,2S)-2-cyclopropylcyclopropylethan-1-one
    • MDL: MFCD30347873
    • Inchi: 1S/C8H12O/c1-5(9)7-4-8(7)6-2-3-6/h6-8H,2-4H2,1H3/t7-,8+/m0/s1
    • InChI Key: LIRUAPWFNMOSEL-JGVFFNPUSA-N
    • SMILES: O=C(C)[C@@H]1C[C@@H]1C1CC1

Computed Properties

  • Exact Mass: 124.088815002g/mol
  • Monoisotopic Mass: 124.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.114±0.06 g/cm3(Predicted)
  • Boiling Point: 188.2±8.0 °C(Predicted)

Ethanone, 1-[1,1-bicyclopropyl]-2-yl-, trans- (9CI) Pricemore >>

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