Dimethyl penta-2,3-dienedioate

C₇H₈O₄CAS 1712-36-3156.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O₄
Molar mass: 156.14 g/mol
Exact mass: 156.0423 Da
logP: 0.04Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

1712-36-3

SMILES

COC(=O)C=C=CC(=O)OC

InChIKey

FJLLBKDQCMPUSU-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O4/c1-10-6(8)4-3-5-7(9)11-2/h4-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Dimethyl 2,3-pentadienedioate
Dimethyl-2,3-pentadienedioate
Penta-2,3-dienedioic acid dimethyl ester
2,3-Pentadienedioic acid, dimethyl ester

Reactions

DIMETHYL 2,3-PENTADIENEDIOATE (2,3-Pentadienedioic acid, dimethyl ester)product

Work with Dimethyl penta-2,3-dienedioate

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

Dimethyl maleate624-48-657 % similar Dimethyl fumarate624-49-757 % similar Methyl glyoxylate922-68-952 % similar Methyl E-crotonate623-43-850 % similar Methyl acrylate96-33-350 % similar Methyl 3-methyl-2-butenoate924-50-548 % similar Methyl 4-bromo-2-butenoate1117-71-146 % similar Methyl (2E)-4-bromo-2-butenoate6000-00-646 % similar

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

Same formula

3,5-Dioxocyclohexanecarboxylic acid42858-60-6 Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid56842-95-6 Maleic anhydride-methyl vinyl ether copolymer9011-16-9

Elsewhere

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