Mucobromic acid

C₄H₂Br₂O₃CAS 488-11-9257.86 g/mol

Open in Covalent MOL file

Aldehyde Alkene Carboxylic acid Vinyl halide

Properties

Molecular formula: C₄H₂Br₂O₃
Molar mass: 257.86 g/mol
Exact mass: 255.8371 Da
Melting point: 123–124 °C
logP: 1.27Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Double bonds: ZE/Z, in SMILES order

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

488-11-9

SMILES

O=C/C(Br)=C(/Br)C(=O)O

InChIKey

NCNYEGJDGNOYJX-IHWYPQMZSA-N

InChI

InChI=1S/C4H2Br2O3/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

6 names

2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-
Malealdehydic acid, dibromo-
2-Butenoic acid, 2,3-dibromo-4-oxo-, (Z)-
(2Z)-2,3-Dibromo-4-oxo-2-butenoic acid
Bromomucic acid
(Z)-2,3-Dibromo-4-oxobut-2-enoic acid

Reactions

Work with Mucobromic 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

Mucochloric acid87-56-942 % similar Oxalic acid144-62-735 % similar 2-Bromoacrylic acid10443-65-934 % similar Glyoxylic acid298-12-433 % 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 Wikipedia