Cas no 84098-45-3 (Propanoic acid, 3-hydroxy-, 1-methylethyl ester)

Propanoic acid, 3-hydroxy-, 1-methylethyl ester structure
84098-45-3 structure
Product Name:Propanoic acid, 3-hydroxy-, 1-methylethyl ester
CAS No:84098-45-3
MF:C6H12O3
MW:132.157682418823
CID:1819982
PubChem ID:12847346
Update Time:2025-04-21

Propanoic acid, 3-hydroxy-, 1-methylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-hydroxy-, 1-methylethyl ester
    • propan-2-yl 3-hydroxypropanoate
    • 84098-45-3
    • SCHEMBL1591285
    • DTXSID80511381
    • MIDAHAFCJFVHFD-UHFFFAOYSA-N
    • 3-hydroxy-propionic acid isopropyl ester
    • isopropyl 3-hydroxypropanoate
    • Inchi： 1S/C6H12O3/c1-5(2)9-6(8)3-4-7/h5,7H,3-4H2,1-2H3
    • InChI Key： MIDAHAFCJFVHFD-UHFFFAOYSA-N
    • SMILES： O(C(CCO)=O)C(C)C

Computed Properties

  • Exact Mass: 132.078644241g/mol
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 88.3
  • 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: 0.2
  • Topological Polar Surface Area: 46.5?2

Propanoic acid, 3-hydroxy-, 1-methylethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water
Reference
Enantiomerically pure tetrahydro-5-oxo-2-furancarboxylic esters from dialkyl 2-oxoglutarates
Drioli, Sara; et al, Tetrahedron: Asymmetry, 1999, 10(14), 2713-2728

Propanoic acid, 3-hydroxy-, 1-methylethyl ester Preparation Products

Propanoic acid, 3-hydroxy-, 1-methylethyl ester Related Literature

84098-45-3 (Propanoic acid, 3-hydroxy-, 1-methylethyl ester) Related Products

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