2-Methoxyethyl cyanoacetate

C6H9NO3CAS 10258-54-5143.14 g/mol

Open in Covalent MOL file
OOON
EsterEtherNitrile

Properties

Molecular formula
C6H9NO3
Molar mass
143.14 g/mol
Exact mass
143.0582 Da
logP
0.09Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
10258-54-5
SMILES
COCCOC(=O)CC#N
InChIKey
SGLKIEOMYXTGBH-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-cyano-, 2-methoxyethyl ester
  • Acetic acid, cyano-, 2-methoxyethyl ester
  • Ethanol, 2-methoxy-, cyanoacetate
  • Cyanoacetic acid, 2-methoxyethyl ester
  • Cyanoacetic acid, β-methoxyethyl ester
  • 2-Methoxyethyl 2-cyanoacetate

Work with 2-Methoxyethyl 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

Propyl cyanoacetate14447-15-567 % similar 2-Ethoxyethyl 2-cyanoacetate32804-77-663 % similar Butyl cyanoacetate5459-58-563 % similar Ethyl cyanoacetate105-56-660 % similar Methyl cyanoacetate105-34-059 % similar 1,6-Bis(2-methoxyethyl) hexanedioate106-00-357 % similar 2-Methylpropyl 2-cyanoacetate13361-31-455 % similar 2-Methoxyethyl 3-oxobutanoate22502-03-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trimethadione127-48-0 N-[2-Hydroxyethyl]succinimide18190-44-8 N-Methacryloylglycine23578-45-2 Valine N-carboxyanhydride24601-74-9 (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-4 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-4 Methyl 2-acetamidoacrylate35356-70-8 6-Oxopiperidine-2-carboxylic acid3770-22-7

Elsewhere

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