Cas no 70639-30-4 (Butanoic acid, 2-oxopropyl ester)

Butanoic acid, 2-oxopropyl ester structure
70639-30-4 structure
Product Name:Butanoic acid, 2-oxopropyl ester
CAS No:70639-30-4
MF:C7H12O3
MW:144.168382644653
CID:546916
PubChem ID:20609749
Update Time:2025-04-19

Butanoic acid, 2-oxopropyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-oxopropyl ester
    • 2-oxopropyl butanoate
    • 70639-30-4
    • SCHEMBL6414364
    • Buttersaure Aceton
    • DTXSID50609067
    • Inchi： 1S/C7H12O3/c1-3-4-7(9)10-5-6(2)8/h3-5H2,1-2H3
    • InChI Key： AIJLJYUDTAJRDN-UHFFFAOYSA-N
    • SMILES： O(CC(C)=O)C(CCC)=O

Computed Properties

  • Exact Mass: 144.07866
  • Monoisotopic Mass: 144.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 129
  • 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: 0.7
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Butanoic acid, 2-oxopropyl ester Related Literature

70639-30-4 (Butanoic acid, 2-oxopropyl ester) Related Products

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