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5-Oxohexanenitrile

5-Oxohexanenitrile structure

CAS No:
10412-98-3
Formula:
C6H9NO
Chemical Name:
5-Oxohexanenitrile
Synonyms:
Hexanenitrile,5-oxo-;5-Oxohexanenitrile;5-Oxohexanonitrile;4-Acetylbutyronitrile;Methyl 3-cyanopropylketone;γ-Acetobutyronitrile

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5-Oxohexanenitrile Basic Attributes

Molecular Weight：

111.14 g/mol

Exact Mass：

111.14

EC Number：

233-884-3

DSSTox ID：

DTXSID5065065

Characteristics

PSA：

40.9 Å²

Density：

0.9747 g/cm³ @ Temp: 20 °C

Boiling Point：

100-130 °C @ Press: 2 Torr

Safety Information

GHS Classification：

|Warning|H302 (100%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Oxohexanenitrile Use and Manufacturing

Manufacturing Info：

Hexanenitrile, 5-oxo-: INACTIVE

Computed Properties

Molecular Weight:111.14
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:8
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Oxohexanenitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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