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3,4-Dimethoxybenzenepropanenitrile

3,4-Dimethoxybenzenepropanenitrile structure

CAS No:
49621-56-9
Formula:
C11H13NO2
Chemical Name:
3,4-Dimethoxybenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,3,4-dimethoxy-;Hydrocinnamonitrile,3,4-dimethoxy-;3,4-Dimethoxybenzenepropanenitrile;β-(3,4-Dimethoxyphenyl)propionitrile;NSC 266052;3-(3,4-Dimethoxyphenyl)propionitrile;3-(3,4-Dimethoxyphenyl)propanenitrile

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3,4-Dimethoxybenzenepropanenitrile Basic Attributes

Molecular Weight：

191.23 g/mol

Exact Mass：

191.23

EC Number：

610-465-7

NSC Number：

266052

DSSTox ID：

DTXSID10313037

Characteristics

PSA：

42.2 Å²

Melting Point：

46.5 °C

Boiling Point：

145-150 °C @ Press: 0.8 Torr

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:191.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:191.094628657
Monoisotopic Mass:191.094628657
Topological Polar Surface Area:42.2
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dimethoxybenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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