Home Other Building Blocks 872091-00-4
872091-00-4,MFCD19694856
Catalog No.:AA004ROX

872091-00-4 | 3-(2-Cyanopropan-2-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$16.00   $11.00
- +
1g
98%
in stock  
$33.00   $23.00
- +
5g
98%
in stock  
$136.00   $96.00
- +
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Technical Information
Catalog Number:
AA004ROX
Chemical Name:
3-(2-Cyanopropan-2-yl)benzoic acid
CAS Number:
872091-00-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD19694856
SMILES:
N#CC(c1cccc(c1)C(=O)O)(C)C
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
274  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Literature
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Additional Info:
SDS
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Tags:872091-00-4 Molecular Formula|872091-00-4 MDL|872091-00-4 SMILES|872091-00-4 3-(2-Cyanopropan-2-yl)benzoic acid