Beta-nitropropionic acid

C3H5NO4CAS 504-88-1119.08 g/mol

Open in Covalent MOL file
OHON+OO−
Carboxylic acidNitro

Properties

Molecular formula
C3H5NO4
Molar mass
119.08 g/mol
Exact mass
119.0219 Da
Melting point
68–70 °C
Water solubility
≥ 100 g/L (20 °C)
logP
-0.26Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
504-88-1
SMILES
O=C(O)CC[N+](=O)[O-]
InChIKey
WBLZUCOIBUDNBV-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)

Weigh it out

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

Names and synonyms

9 names
  • Propanoic acid, 3-nitro-
  • Propionic acid, 3-nitro-
  • 3-Nitropropanoic acid
  • BNP
  • Bovinocidin
  • Hiptagenic acid
  • β-Nitropropionic acid
  • 3-Nitropropionic acid
  • NSC 64266

Work with Beta-nitropropionic 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 acid110-15-648 % similar 3-Mercaptopropionic acid107-96-044 % similar 2-Nitroethanol625-48-944 % similar Glutaric acid110-94-144 % similar Adipic acid124-04-944 % similar 1,4-Dinitrobutane4286-49-144 % similar Pimelic acid111-16-042 % similar Sebacic acid111-20-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-nitroacetate2483-57-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia