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4-Ethyl-β-oxobenzenepropanenitrile

4-Ethyl-β-oxobenzenepropanenitrile structure

CAS No:
96220-15-4
Formula:
C11H11NO
Chemical Name:
4-Ethyl-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,4-ethyl-β-oxo-;4-Ethyl-β-oxobenzenepropanenitrile;3-(4-Ethylphenyl)-3-oxopropanenitrile

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4-Ethyl-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

173.21114

Exact Mass：

173.21

DSSTox ID：

DTXSID90374489

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

2.34538

Density：

1.058g/cm3

Melting Point：

102-103 °C

Boiling Point：

340.7ºC at 760mmHg

Flash Point：

159.8ºC

Refractive Index：

1.527

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:173.21
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:173.084063974
Monoisotopic Mass:173.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Ethyl-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Ethyl-β-oxobenzenepropanenitrile

SDS

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