chempirical

3-Iodopropionic acid

C3H5IO2CAS 141-76-4199.98 g/mol

Open in Covalent MOL file
OHOI
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H5IO2
Molar mass
199.98 g/mol
Exact mass
199.9334 Da
Melting point
81.5 °C
logP
0.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
141-76-4
SMILES
O=C(O)CCI
InChIKey
KMRNTNDWADEIIX-UHFFFAOYSA-N
InChI
InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

Weigh it out

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

Names and synonyms

5 names
  • Propanoic acid, 3-iodo-
  • Propionic acid, 3-iodo-
  • 3-Iodopropanoic acid
  • β-Iodopropionic acid
  • NSC 2124

Work with 3-Iodopropionic 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

Succinic acid110-15-661 % similar Glutaric acid110-94-155 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % similar Pentadecanedioic acid1460-18-052 % similar Diammonium succinate2226-88-252 % similar Heptadecanedioic acid2424-90-052 % similar Eicosanedioic acid2424-92-252 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook