Ethyl cyanohydroxyiminoacetate

C₅H₆N₂O₃CAS 3849-21-6142.11 g/mol

Open in Covalent MOL file

Ester Nitrile Oxime

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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin17.9% of notifiers
H315 Causes skin irritation67.9% of notifiers
H319 Causes serious eye irritation21.4% of notifiers
H332 Harmful if inhaled17.9% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 28 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 Diethyl oxalate95-92-147 % similar Totu136849-72-445 % similar Ethyl 2-cyano-3,3-diphenylacrylate5232-99-544 % 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 6-Oxo-1,4,5,6-tetrahydropyridazin-3-carboxylic acid27372-38-9 5-(Hydroxymethyl)uracil4433-40-3 4,6-Dihydroxy-5-methoxypyrimidine5193-84-0 5-Methoxyuracil6623-81-0

Elsewhere

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