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38690-76-5,MFCD00001817
Catalog No.:AA003L6K

38690-76-5 | 4-Cyanophenyl 4-heptylbenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)
in stock  
$35.00   $24.00
- +
5g
>98.0%(GC)
in stock  
$106.00   $74.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003L6K
Chemical Name:
4-Cyanophenyl 4-heptylbenzoate
CAS Number:
38690-76-5
Molecular Formula:
C21H23NO2
Molecular Weight:
321.4128
MDL Number:
MFCD00001817
SMILES:
CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Properties
Properties
 
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
409  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
9  
XLogP3:
6.6  

Literature

Title: Hydrogen-bond symmetry in difluoromaleate monoanion.

Journal: Journal of the American Chemical Society 20120509

Title: Fourier transform infrared spectroscopic investigation of the electric-field-induced reorientation of the nematic 7CPB with different prealignment.

Journal: Applied spectroscopy 20040801

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Tags:38690-76-5 Molecular Formula|38690-76-5 MDL|38690-76-5 SMILES|38690-76-5 4-Cyanophenyl 4-heptylbenzoate