Methyl 3-cyanopropanoate
Properties
- Molecular formula
- C5H7NO2
- Molar mass
- 113.12 g/mol
- Exact mass
- 113.0477 Da
- logP
- 0.46Crippen estimate
- Polar surface area
- 50.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H227 Combustible liquid33.3% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
- H340 May cause genetic defects33.3% of notifiers
- H351 Suspected of causing cancer33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
4107-62-4SMILES
COC(=O)CCC#NInChIKey
BPSKURPOKFSLHJ-UHFFFAOYSA-NInChI
InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Cyanopropionic acid methyl ester
Work with Methyl 3-cyanopropanoate
Similar compounds
Methyl cyanoacetate105-34-063 % similar
Dimethyl succinate106-65-058 % similar
Dimethyl glutarate1119-40-056 % similar
Dimethyladipate627-93-054 % similar
Dimethyl sebacate106-79-652 % similar
Dimethyl octadecanedioate1472-93-152 % similar
1,12-Dimethyl dodecanedioate1731-79-952 % similar
Dimethyl pimelate1732-08-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.