Methyl isocyanoacetate
Properties
- Molecular formula
- C4H5NO2
- Molar mass
- 99.09 g/mol
- Exact mass
- 99.0320 Da
- logP
- 0.08Crippen estimate
- Polar surface area
- 30.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed95.7% of notifiers
- H312 Harmful in contact with skin95.7% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H331 Toxic if inhaled13% of notifiers
- H332 Harmful if inhaled87% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
39687-95-1SMILES
[C-]#[N+]CC(=O)OCInChIKey
CRXFROMHHBMNAB-UHFFFAOYSA-NInChI
InChI=1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Acetic acid, 2-isocyano-, methyl ester
- Acetic acid, isocyano-, methyl ester
- Methyl α-isocyanoacetate
- Methyl 2-isocyanoacetate
Work with Methyl isocyanoacetate
Similar compounds
Ethyl isocyanoacetate2999-46-457 % similar
T-Butyl isocyanoacetate2769-72-455 % similar
Dimethyl succinate106-65-050 % similar
Dimethyl malonate108-59-850 % similar
Dimethyl glutarate1119-40-048 % similar
Methyl propionate554-12-146 % similar
Dimethyladipate627-93-046 % similar
Dimethyl sebacate106-79-644 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.