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β-Oxocyclopentanepropanenitrile

β-Oxocyclopentanepropanenitrile structure

CAS No:
95882-33-0
Formula:
C8H11NO
Chemical Name:
β-Oxocyclopentanepropanenitrile
Synonyms:
Cyclopentanepropanenitrile,β-oxo-;β-Oxocyclopentanepropanenitrile;3-Cyclopentyl-3-oxopropionitrile;3-Cyclopentyl-3-oxopropanenitrile

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β-Oxocyclopentanepropanenitrile Basic Attributes

Molecular Weight：

137.18

Exact Mass：

137.18

DSSTox ID：

DTXSID50544560

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

0.81

Density：

1.1±0.1 g/cm3

Boiling Point：

229.5±13.0 °C at 760 mmHg

Flash Point：

92.6±19.8 °C

Refractive Index：

1.479

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:137.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:137.084063974
Monoisotopic Mass:137.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:10
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of β-Oxocyclopentanepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

β-Oxocyclopentanepropanenitrile

SDS

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