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93-17-4,MFCD00001911
Catalog No.:AA003IFL

93-17-4 | (3,4-Dimethoxyphenyl)acetonitrile

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10g
98%
in stock  
$6.00   $4.00
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25g
98%
in stock  
$13.00   $9.00
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100g
98%
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$29.00   $21.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFL
Chemical Name:
(3,4-Dimethoxyphenyl)acetonitrile
CAS Number:
93-17-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00001911
SMILES:
N#CCc1ccc(c(c1)OC)OC
NSC Number:
6324
Properties
Properties
 
BP:
171-178°C at 760 mmHg  
Form:
Solid  
MP:
54-57 °C(lit.)  
Refractive Index:
1.5168 (estimate)  
Solubility:
methanol: 0.1 g/mL, clear  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Literature

Title: Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

Title: Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.

Journal: Journal of industrial microbiology & biotechnology 20100701

Title: (Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].

Journal: Acta crystallographica. Section C, Crystal structure communications 20071201

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