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2-Oxooctanenitrile

2-Oxooctanenitrile structure

CAS No:
80997-84-8
Formula:
C8H13NO
Chemical Name:
2-Oxooctanenitrile
Synonyms:
Octanenitrile,2-oxo-;2-Oxooctanenitrile

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Description

clear yellow-brown liquid

2-Oxooctanenitrile Basic Attributes

Molecular Weight：

139.19500

Exact Mass：

139.19

EC Number：

279-644-1

DSSTox ID：

DTXSID50230835

Characteristics

PSA：

40.86000

XLogP3：

2.04948

Density：

0.88

Boiling Point：

41ºC (1.5 mmHg)

Flash Point：

79ºC

Refractive Index：

1.443-1.445

Safety Information

hazard class code：

R20/21/22

safety instructions：

S36/37

Marks：

Xn: Harmful;

Computed Properties

Molecular Weight:139.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:139.099714038
Monoisotopic Mass:139.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:10
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Oxooctanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Oxooctanenitrile

SDS

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