Cas no 40962-37-6 (Acetic acid,2-phosphono-, 1-methyl ester)

Acetic acid,2-phosphono-, 1-methyl ester structure
40962-37-6 structure
Product Name:Acetic acid,2-phosphono-, 1-methyl ester
CAS No:40962-37-6
MF:C3H7O5P
MW:154.058442354202
CID:329153
PubChem ID:170449
Update Time:2025-04-19

Acetic acid,2-phosphono-, 1-methyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-phosphono-, 1-methyl ester
    • Acetic acid, phosphono-, 1-methyl ester
    • methylacetylphosphonate
    • Aceticacid, phosphono-, 1-methyl ester (9CI)
    • Phosphonic acid, methoxycarbonylmethyl-
    • methyl phosphonoacetate
    • (2-methoxy-2-oxoethyl)phosphonic acid
    • 40962-37-6
    • DTXSID40961343
    • Methyl acetyl phosphate
    • LLJFNWVJKMVHIL-UHFFFAOYSA-N
    • Oprea1_240573
    • carbomethoxymeth-ylenephosphonic acid
    • AKOS005447266
    • SCHEMBL360260
    • STK372960
    • Inchi: 1S/C3H7O5P/c1-8-3(4)2-9(5,6)7/h2H2,1H3,(H2,5,6,7)
    • InChI Key: LLJFNWVJKMVHIL-UHFFFAOYSA-N
    • SMILES: P(CC(=O)OC)(=O)(O)O

Computed Properties

  • Exact Mass: 154.00311032g/mol
  • Monoisotopic Mass: 154.00311032g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 146
  • 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: -1.7
  • Topological Polar Surface Area: 83.8?2
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