β-Oxocyclopentanepropanenitrile
Properties
- Molecular formula
- C8H11NO
- Molar mass
- 137.18 g/mol
- Exact mass
- 137.0841 Da
- logP
- 1.66Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
95882-33-0SMILES
N#CCC(=O)C1CCCC1InChIKey
FOCJXECLIBAZSA-UHFFFAOYSA-NInChI
InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Cyclopentanepropanenitrile, β-oxo-
- 3-Cyclopentyl-3-oxopropionitrile
- 3-Cyclopentyl-3-oxopropanenitrile
Work with β-Oxocyclopentanepropanenitrile
Similar compounds
3-Cyclopropyl-3-oxopropanenitrile118431-88-283 % similar
2-Oxocyclohexanepropanenitrile4594-78-960 % similar
Pivaloylacetonitrile59997-51-240 % similar
2-Hexylcyclopentanone13074-65-239 % similar
2-Heptylcyclopentanone137-03-139 % similar
Cyanoacetic acid372-09-838 % similar
β-Oxo-1-pyrrolidinepropanenitrile14227-95-338 % similar
2-Oxocyclopentanecarbonitrile2941-29-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.