Cas no 105989-24-0 (Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)-)

Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)- structure
105989-24-0 structure
Product Name:Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)-
CAS No:105989-24-0
MF:C8H14O3
MW:158.194962978363
CID:1173134
Update Time:2024-07-26

Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)- Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)-
    • Hexanoic acid, 4-methyl-3-oxo-, methyl ester, (S)- (9CI)
    • Inchi： 1S/C8H14O3/c1-4-6(2)7(9)5-8(10)11-3/h6H,4-5H2,1-3H3/t6-/m0/s1
    • InChI Key： XAXXMCKRKUYHNJ-LURJTMIESA-N
    • SMILES： C(OC)(=O)CC(=O)[C@@H](C)CC

Computed Properties

  • Exact Mass: 158.09432

Experimental Properties

  • Density: 0.979±0.06 g/cm3(Predicted)
  • Boiling Point: 199.4±8.0 °C(Predicted)
  • PSA: 43.37
  • pka: 10.40±0.46(Predicted)

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