Ethyl (ethoxymethylene)cyanoacetate

C8H11NO3CAS 94-05-3169.18 g/mol

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ONOO
AlkeneEsterEtherNitrile

Properties

Molecular formula
C8H11NO3
Molar mass
169.18 g/mol
Exact mass
169.0739 Da
Melting point
49–50 °C
Boiling point
150–155 °C (at 5 Torr)
logP
0.99Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
94-05-3
SMILES
CCOC=C(C#N)C(=O)OCC
InChIKey
KTMGNAIGXYODKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3

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Names and synonyms

19 names · show all
  • 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester
  • Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester
  • Ethyl 2-cyano-3-ethoxyacrylate
  • Ethyl 2-cyano-3-ethoxy-2-propenoate
  • Ethyl 3-ethoxy-2-cyanoacrylate
  • Ethyl α-(ethoxymethylene)-α-cyanoacetate
  • Ethyl cyano(ethoxymethylene)acetate
  • Ethyl 2-cyano-3-ethoxypropenoate
  • 2-Cyano-3-ethoxy-2-propenoic acid ethyl ester
  • Ethyl 2-(ethoxymethylene)-2-cyanoacetate
  • Ethyl cyano(ethoxymethylidene)acetate
  • NSC 27797
  • NSC 31579
  • NSC 62026
  • 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester
  • 2-Cyano-3-ethoxyacrylic acid ethyl ester
  • Ethyl 2-cyano-3-(ethyloxy)-2-propenoate
  • Ethyl 2-cyano-2-(ethoxymethylene)acetate
  • Ethyl 2-ethoxymethylidenecyanoacetate

Work with Ethyl (ethoxymethylene)cyanoacetate

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

Diethyl (ethoxymethylene)malonate87-13-858 % similar Ethyl cyanoacrylate7085-85-053 % similar 2-(Ethoxymethylene)propanedinitrile123-06-852 % similar Ethyl 2-(ethoxymethylene)acetoacetate3788-94-150 % similar Ethyl cyanohydroxyiminoacetate3849-21-649 % similar Ethyl cyanoformate623-49-447 % similar Diethyl oxalate95-92-147 % similar Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Norepinephrine138-65-8 (βS)-β-Amino-2-furanbutanoic acid270263-05-3 Noradrenaline51-41-2 Pyridoxine65-23-6 3,4-Dimethoxy-2-methylpyridine N-oxide72830-07-0 3,4-Dimethoxy-2-pyridinemethanol72830-08-1

Elsewhere

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