chempirical

Methylphosphonic acid

CH5O3PCAS 993-13-596.02 g/mol

Open in Covalent MOL file
POHOOH
Phosphonate

Properties

Molecular formula
CH5O3P
Molar mass
96.02 g/mol
Exact mass
95.9976 Da
Melting point
108.5 °C
logP
-0.21Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
993-13-5
SMILES
CP(=O)(O)O
InChIKey
YACKEPLHDIMKIO-UHFFFAOYSA-N
InChI
InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phosphonic acid, P-methyl-
  • Phosphonic acid, methyl-
  • P-Methylphosphonic acid
  • Methanephosphonic acid
  • Dihydrogen methylphosphonate
  • MPA
  • NSC 119358

Work with Methylphosphonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethylphosphine oxide676-96-031 % similar Phosphoric acid7664-38-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia