chempirical

Mucochloric acid

C4H2Cl2O3CAS 87-56-9168.96 g/mol

Open in Covalent MOL file
OClClOOH
AldehydeAlkeneCarboxylic acidVinyl halide

Properties

Molecular formula
C4H2Cl2O3
Molar mass
168.96 g/mol
Exact mass
167.9381 Da
Melting point
127 °C
logP
0.96Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87-56-9
SMILES
O=C/C(Cl)=C(/Cl)C(=O)O
InChIKey
LUMLZKVIXLWTCI-IHWYPQMZSA-N
InChI
InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-

Weigh it out

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

Names and synonyms

7 names
  • 2-Butenoic acid, 2,3-dichloro-4-oxo-, (2Z)-
  • Malealdehydic acid, dichloro-
  • 2-Butenoic acid, 2,3-dichloro-4-oxo-, (Z)-
  • (2Z)-2,3-Dichloro-4-oxo-2-butenoic acid
  • α,β-Dichloro-β-formylacrylic acid
  • Dichloromalealdehydic acid
  • 2,3-Dichloromaleic aldehyde acid

Work with Mucochloric 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

Mucobromic acid488-11-942 % similar Oxalic acid144-62-735 % similar 2-Chloro-2-propenoic acid598-79-834 % similar Glyoxylic acid298-12-433 % similar Chloranilic acid87-88-731 % similar Ammonium oxalate1113-38-831 % similar Ethanedioic acid hydrate (1:2)6153-56-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook