Cas no 846021-40-7 (Propanoic acid, 3-(acetyloxy)-3-hydroxy-, methyl ester)

Propanoic acid, 3-(acetyloxy)-3-hydroxy-, methyl ester structure
846021-40-7 structure
Product Name:Propanoic acid, 3-(acetyloxy)-3-hydroxy-, methyl ester
CAS No:846021-40-7
MF:C6H10O5
MW:162.140602588654
CID:666700
PubChem ID:568526
Update Time:2025-04-19

Propanoic acid, 3-(acetyloxy)-3-hydroxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-(acetyloxy)-3-hydroxy-, methyl ester
    • methyl 3-acetyloxy-3-hydroxypropanoate
    • 846021-40-7
    • LFAVKKKLQAGYNZ-UHFFFAOYSA-N
    • DTXSID40340917
    • Methyl 3-(acetyloxy)-3-hydroxypropanoate #
    • 3-Acetoxy-3-hydroxypropionic acid, methyl ester
    • Inchi: 1S/C6H10O5/c1-4(7)11-6(9)3-5(8)10-2/h6,9H,3H2,1-2H3
    • InChI Key: LFAVKKKLQAGYNZ-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(CC(=O)OC)O

Computed Properties

  • Exact Mass: 162.05282342g/mol
  • Monoisotopic Mass: 162.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 72.8?2
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