chempirical

Bromopyruvic acid

C3H3BrO3CAS 1113-59-3166.96 g/mol

Open in Covalent MOL file
OHOOBr
Alkyl halideCarboxylic acidKetone

Properties

Molecular formula
C3H3BrO3
Molar mass
166.96 g/mol
Exact mass
165.9266 Da
Melting point
59 °C
logP
0.04Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
1113-59-3
SMILES
O=C(O)C(=O)CBr
InChIKey
PRRZDZJYSJLDBS-UHFFFAOYSA-N
InChI
InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

Weigh it out

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

Names and synonyms

9 names
  • Propanoic acid, 3-bromo-2-oxo-
  • Pyruvic acid, bromo-
  • 3-Bromo-2-oxopropanoic acid
  • β-Bromopyruvic acid
  • 3-Bromopyruvic acid
  • 3-Bromopyruvate
  • NSC 11731
  • NSC 62343
  • 3-Bromo-2-oxo-propionic acid

Work with Bromopyruvic 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

1,4-Dibromo-2,3-butanedione6305-43-758 % similar 2-(Bromomethyl)acrylic acid72707-66-552 % similar α-Ketobutyric acid600-18-050 % similar Oxaloacetic acid328-42-748 % similar Alpha-ketovaleric acid1821-02-946 % similar Alpha-ketoisocaproic acid816-66-044 % similar Bromoacetic acid79-08-343 % similar Ethanedioic acid hydrate (1:2)6153-56-643 % similar

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

Elsewhere

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