chempirical

Phosphonoacetic acid

C2H5O5PCAS 4408-78-0140.03 g/mol

Open in Covalent MOL file
OHOPOHOOH
Carboxylic acidPhosphonate

Properties

Molecular formula
C2H5O5P
Molar mass
140.03 g/mol
Exact mass
139.9875 Da
Melting point
143–146 °C
logP
-0.75Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
4408-78-0
SMILES
O=C(O)CP(=O)(O)O
InChIKey
XUYJLQHKOGNDPB-UHFFFAOYSA-N
InChI
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

Weigh it out

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

Names and synonyms

9 names
  • Acetic acid, 2-phosphono-
  • Acetic acid, phosphono-
  • 2-Phosphonoacetic acid
  • Phosphonic acid, (carboxymethyl)-
  • Phosphonacetic acid
  • Fosfonet
  • NSC 18205
  • (Carboxymethyl)phosphonic acid
  • Fosfonoacetic acid

Work with Phosphonoacetic 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

3-Phosphonopropionic acid5962-42-560 % similar Glyphosate1071-83-654 % similar Polaris2439-99-854 % similar N-(Phosphonomethyl)iminodiacetic acid5994-61-654 % similar (Diethoxyphosphinyl)acetic acid3095-95-242 % similar Succinic acid110-15-641 % similar Medronic acid1984-15-241 % similar Roundup38641-94-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook