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3-Cyano-β-oxobenzenepropanenitrile

3-Cyano-β-oxobenzenepropanenitrile structure

CAS No:
21667-63-0
Formula:
C10H6N2O
Chemical Name:
3-Cyano-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,3-cyano-β-oxo-;Benzonitrile,m-(cyanoacetyl)-;3-Cyano-β-oxobenzenepropanenitrile;3-(2-Cyanoacetyl)benzonitrile

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3-Cyano-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

170.16700

Exact Mass：

170.17

DSSTox ID：

DTXSID60633939

HScode：

2926909090

Characteristics

PSA：

64.65000

XLogP3：

1.65466

Density：

1.21g/cm3

Boiling Point：

379.636ºC

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:170.17
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:170.048012819
Monoisotopic Mass:170.048012819
Topological Polar Surface Area:64.6
Heavy Atom Count:13
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyano-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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