chempirical

Ethyl cyanohydroxyiminoacetate

C5H6N2O3CAS 3849-21-6142.11 g/mol

Open in Covalent MOL file
OONNOH
EsterNitrileOxime

Properties

Molecular formula
C5H6N2O3
Molar mass
142.11 g/mol
Exact mass
142.0378 Da
Melting point
129 °C
Boiling point
106 °C (at 10 Torr)
logP
-0.10Crippen estimate
Polar surface area
82.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
3849-21-6
SMILES
CCOC(=O)C(C#N)=NO
InChIKey
LCFXLZAXGXOXAP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3

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Names and synonyms

20 names · show all
  • Acetic acid, 2-cyano-2-(hydroxyimino)-, ethyl ester
  • Glyoxylic acid, cyano-, ethyl ester, 2-oxime
  • Acetic acid, cyano(hydroxyimino)-, ethyl ester
  • Glyoxylic acid, cyano-, ethyl ester, oxime
  • Ethyl cyanoglyoxylate oxime
  • Ethyl 2-hydroxyimino-2-cyanoacetate
  • Ethyl α-cyano-α-oximinoacetate
  • Ethyl cyano(hydroxyimino)acetate
  • Ethyl 2-cyano-2-(hydroxyimino)ethanoate
  • Ethyl 2-(hydroxyimino)cyanoacetate
  • Ethyl cyanoglyoxylate-2-oxime
  • NSC 137667
  • NSC 41021
  • NSC 42116
  • Ethyl 2-cyano-2-oximinoacetate
  • 2-Cyano-2-(hydroxyimino)acetic acid ethyl ester
  • Ethyl 2-cyano-2-(hydroxyimino)acetate
  • Oxyma
  • Oxyma pure
  • Ethyl 2-cyano-2-oxidoiminoacetate

Work with Ethyl cyanohydroxyiminoacetate

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

Ethyl 2-oximinooxamate10489-74-453 % similar Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-053 % similar Ethyl cyanoacrylate7085-85-053 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-349 % similar Ethyl cyanoformate623-49-447 % similar Ethyl 2-cyano-3,3-diphenylacrylate5232-99-544 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-444 % similar (((Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate1075198-30-941 % similar

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

Same formula

3,5-Dimethyl-4-nitroisoxazole1123-49-5 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-1 5-(Hydroxymethyl)uracil4433-40-3 5-Methoxyuracil6623-81-0

Elsewhere

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