3-Hexenedioic acid

C₆H₈O₄CAS 4436-74-2144.13 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₈O₄
Molar mass: 144.13 g/mol
Exact mass: 144.0423 Da
Melting point: 197 °C
logP: 0.49Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

4436-74-2

SMILES

O=C(O)CC=CCC(=O)O

InChIKey

YHGNXQAFNHCBTK-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

3 names

β-Hydromuconic acid
2-Butene-1,4-dicarboxylic acid
Dihydromuconic acid

Work with 3-Hexenedioic 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

trans-3-Hexenoic acid1577-18-075 % similar Glutaconic acid1724-02-364 % similar Succinic acid110-15-650 % similar Glutaric acid110-94-145 % similar Polyglycolide26124-68-545 % similar Glycolic acid79-14-145 % similar Diglycolic acid110-99-643 % similar Pimelic acid111-16-043 % similar

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

Same formula

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-6 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-6 D-Lactide13076-17-0 Meldrum'S acid2033-24-1 Methyl β-acetylpyruvate20577-61-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7

Elsewhere

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