chempirical

3-Phosphonopropionic acid

C3H7O5PCAS 5962-42-5154.06 g/mol

Open in Covalent MOL file
OHOPOOHOH
Carboxylic acidPhosphonate

Properties

Molecular formula
C3H7O5P
Molar mass
154.06 g/mol
Exact mass
154.0031 Da
Melting point
178–180 °C
logP
-0.36Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Identifiers

CAS number
5962-42-5
SMILES
O=C(O)CCP(=O)(O)O
InChIKey
NLBSQHGCGGFVJW-UHFFFAOYSA-N
InChI
InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)

Weigh it out

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

Names and synonyms

12 names
  • Propanoic acid, 3-phosphono-
  • Propionic acid, 3-phosphono-
  • 3-Phosphonopropanoic acid
  • Phosphonic acid, (2-carboxyethyl)-
  • β-Phosphonopropionic acid
  • 2-Carboxyethane-1-phosphonic acid
  • 2-Carboxyethanephosphonic acid
  • Carboxyethylphosphonic acid
  • 1-Carboxyethane-2-phosphonic acid
  • 2-Carboxyethylphosphonic acid
  • 2-CEPA
  • Rhodafac ASI-HW

Work with 3-Phosphonopropionic 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

Phosphonoacetic acid4408-78-060 % similar Glyphosate1071-83-650 % similar Succinic acid110-15-650 % similar Polaris2439-99-850 % similar N-(Phosphonomethyl)iminodiacetic acid5994-61-650 % similar Glutaric acid110-94-146 % similar Adipic acid124-04-946 % similar 2-Carboxyethyl(phenyl)phosphinic acid14657-64-846 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook