2-Oxocyclohexanepropanenitrile
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2-Oxocyclohexanepropanenitrile
structure -
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CAS No:
4594-78-9
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Formula:
C9H13NO
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Chemical Name:
2-Oxocyclohexanepropanenitrile
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Synonyms:
Cyclohexanepropanenitrile,2-oxo-;Cyclohexanepropionitrile,2-oxo-;2-Oxocyclohexanepropanenitrile;2-(2-Cyanoethyl)cyclohexanone;2-(β-Cyanoethyl)cyclohexanone;2-(2-Cyanoethyl)-1-cyclohexanone;NSC 119497;NSC 60268;3-(2-Cyclohexanone)propionitrile;3-(2-Oxocyclohexyl)propanenitrile;58769-43-0
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CAS No:
Characteristics
40.9
2.04948
clear light yellow liquid.
1.002 g/cm3 @ Temp: 420 °C
61-62 °C
138-142 °C @ Press: 10 Torr
113℃
n20/D 1.474
Safety Information
III
6.1
UN3276
3
20/21/22
36
Xn
P280
H302-H312-H332
|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:151.21
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:151.099714038
Monoisotopic Mass:151.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:189
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes