Vinyl crotonate

C6H8O2CAS 14861-06-4112.13 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
Density
0.8358 g/mL (at 20 °C)
Boiling point
47 °C (at 28 Torr)
logP
1.25Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14861-06-4
SMILES
C=COC(=O)C=CC
InChIKey
IYNRVIKPUTZSOR-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Butenoic acid, ethenyl ester
  • Crotonic acid, vinyl ester
  • Vinyl 2-butenoate
  • NSC 5215

Work with Vinyl crotonate

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

Crotonic anhydride623-68-754 % similar Crotonic anhydride78957-07-054 % similar 2-Propen-1-yl 2-butenoate20474-93-550 % similar Methyl crotonate623-43-850 % similar Vinyl trans-cinnamate3098-92-848 % similar Ethyl trans-crotonate623-70-145 % similar Vinyl acetate108-05-444 % similar Polyvinyl acetate9003-20-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 Glycidyl propargyl ether18180-30-8 3,4-Dihydro-2H-pyran-5-carbaldehyde25090-33-9

Elsewhere

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