chempirical

Dimethyl itaconate

C7H10O4CAS 617-52-7158.15 g/mol

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AlkeneEster

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Density
1.1246 g/mL (at 20 °C)
Melting point
38 °C
Boiling point
208 °C
logP
0.28Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
617-52-7
SMILES
C=C(CC(=O)OC)C(=O)OC
InChIKey
ZWWQRMFIZFPUAA-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Butanedioic acid, 2-methylene-, 1,4-dimethyl ester
  • Succinic acid, methylene-, dimethyl ester
  • Butanedioic acid, methylene-, dimethyl ester
  • Itaconic acid dimethyl ester
  • Methylenesuccinic acid dimethyl ester
  • Dimethyl methylenesuccinate
  • Methyl 4-methoxy-2-methylene-4-oxobutanoate
  • Dimethyl methylenebutanedioate
  • NSC 9385
  • Dimethyl 2-methylenesuccinate
  • Methylenebutanedioic acid dimethyl ester
  • 1,4-Dimethyl 2-methylidenebutanedioate
  • 2-Methylene-succinic acid dimethyl ester
  • 2-(Methylene)butanedioic dimethyl ester

Work with Dimethyl itaconate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl malonate108-59-856 % similar 1,5-Dimethyl 3-oxopentanedioate1830-54-250 % similar Dimethyl 2-oxoglutarate13192-04-647 % similar Methyl acetoacetate105-45-347 % similar Dibutyl itaconate2155-60-446 % similar Methyl 3-chloro-3-oxopropanoate37517-81-045 % similar Methyl methoxyacetate6290-49-945 % similar Dimethyl succinate106-65-044 % similar

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

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 1,3-Cyclopentanedicarboxylic acid4056-78-4 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Succinylacetone51568-18-4 Ethyl 2,4-dioxovalerate615-79-2 Dimethyl 1,1-cyclopropanedicarboxylate6914-71-2 Allylidene diacetate869-29-4

Elsewhere

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