Cas no 12789-45-6 (Methyl hydrogen phosphate)

Methyl hydrogen phosphate structure
Methyl hydrogen phosphate structure
Product Name:Methyl hydrogen phosphate
CAS No:12789-45-6
MF:CH5O4P
MW:112.021761655807
CID:189367
PubChem ID:13130
Update Time:2025-04-19

Methyl hydrogen phosphate Chemical and Physical Properties

Names and Identifiers

    • Methyl hydrogen phosphate
    • AP 1
    • methanol - phosphoric acid (1:1)
    • methyl dihydrogen phosphate
    • Phosphoric acid, methyl ester
    • B1B92FE0-7CC2-45F3-94D3-DA8B65F81BEB
    • Dihydrogen methyl phosphate
    • methanol-phosphate
    • MFCD00015936
    • 4-01-00-01258 (Beilstein Handbook Reference)
    • CHEMBL344340
    • Methyl phosphate ((CH3O)(HO)2PO)
    • Monomethyl phosphate
    • methanolphosphate
    • Phosphoric acid monomethyl ester
    • Monomethylphophate
    • NSC41908
    • O-Methyl phosphate
    • CAAULPUQFIIOTL-UHFFFAOYSA-N
    • FT-0695119
    • Phosphoric acid, monomethyl ester
    • NSC 41908
    • 12789-45-6
    • Methyl phosphate ((MeO)(HO)2PO)
    • NSC-41908
    • NS00019499
    • DTXSID2025684
    • SCHEMBL19942
    • Monomethyl dihydrogen phosphate
    • Monomethylphosphate
    • Epitope ID:150903
    • EINECS 212-379-1
    • 7C7GH393JL
    • Methyl phosphate, (MeO)(HO)2PO
    • BRN 1701224
    • Methylphosphate
    • Q23993898
    • 812-00-0
    • CHEBI:340824
    • Inchi: 1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
    • InChI Key: CAAULPUQFIIOTL-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC

Computed Properties

  • Exact Mass: 130.00311
  • Monoisotopic Mass: 111.99254563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 71.6
  • 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: -1.6
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 97.99

Methyl hydrogen phosphate Related Literature

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