chempirical

Propylphosphonic acid

C3H9O3PCAS 4672-38-2124.08 g/mol

Open in Covalent MOL file
POHOOH
Phosphonate

Properties

Molecular formula
C3H9O3P
Molar mass
124.08 g/mol
Exact mass
124.0289 Da
Melting point
73.8 °C
logP
0.57Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
4672-38-2
SMILES
CCCP(=O)(O)O
InChIKey
NSETWVJZUWGCKE-UHFFFAOYSA-N
InChI
InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)

Weigh it out

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

Names and synonyms

10 names
  • Phosphonic acid, P-propyl-
  • Phosphonic acid, propyl-
  • P-Propylphosphonic acid
  • 1-Propanephosphonic acid
  • 1-Propylphosphonic acid
  • NIA 10656
  • Dihydrogen propylphosphonate
  • Propanephosphonic acid
  • PPA
  • n-Propylphosphonic acid

Work with Propylphosphonic 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

Tetradecylphosphonic acid4671-75-468 % similar Hexylphosphonic acid4721-24-868 % similar Octadecylphosphonic acid4724-47-468 % similar Octylphosphonic acid4724-48-568 % similar Ethylphosphonic acid6779-09-555 % similar Ethephon16672-87-050 % similar (2-Aminoethyl)phosphonic acid2041-14-750 % similar Medronic acid1984-15-247 % similar

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

Same formula

Trimethyl phosphite121-45-9 Dimethyl methylphosphonate756-79-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook