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5689-33-8,MFCD08234486
Catalog No.:AA0037JI

5689-33-8 | 3-(Cyanomethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$24.00   $17.00
- +
1g
97%
in stock  
$33.00   $23.00
- +
5g
96%
in stock  
$137.00   $96.00
- +
10g
96%
in stock  
$220.00   $154.00
- +
25g
96%
in stock  
$427.00   $299.00
- +
100g
96%
in stock  
$1,424.00   $997.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0037JI
Chemical Name:
3-(Cyanomethyl)benzoic acid
CAS Number:
5689-33-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD08234486
SMILES:
N#CCc1cccc(c1)C(=O)O
Properties
Properties
 
Form:
Liquid  
MP:
175-176℃ (ethanol, 25% )  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Literature
Quotation Request
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Additional Info:
SDS
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Tags:5689-33-8 Molecular Formula|5689-33-8 MDL|5689-33-8 SMILES|5689-33-8 3-(Cyanomethyl)benzoic acid