chempirical

2-(2-Propen-1-yl)propanedioic acid

C6H8O4CAS 2583-25-7144.13 g/mol

Open in Covalent MOL file
OHOOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C6H8O4
Molar mass
144.13 g/mol
Exact mass
144.0423 Da
Melting point
105 °C
logP
0.35Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
2583-25-7
SMILES
C=CCC(C(=O)O)C(=O)O
InChIKey
ZDZVKPXKLLLOOA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c1-2-3-4(5(7)8)6(9)10/h2,4H,1,3H2,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

7 names
  • Propanedioic acid, 2-(2-propen-1-yl)-
  • Malonic acid, allyl-
  • Propanedioic acid, 2-propenyl-
  • 3-Butene-1,1-dicarboxylic acid
  • Allylmalonic acid
  • NSC 46718
  • 2-Allylmalonic acid

Work with 2-(2-Propen-1-yl)propanedioic 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

2-Methyl-4-pentenoic acid1575-74-261 % similar Allylglycine7685-44-161 % similar D-2-Allylglycine hydrochloride108412-04-055 % similar Dimethyl allylmalonate40637-56-745 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-244 % similar Ethylmalonic acid601-75-244 % similar 3-Cyclopentene-1-carboxylic acid7686-77-344 % similar S-Allylcysteine21593-77-143 % 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 L-Lactide homopolymer33135-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook