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129488-73-9,MFCD19694853
Catalog No.:AA000Z3I

129488-73-9 | Benzoic acid, 4-(1-cyano-1-methylethyl)-, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$107.00   $75.00
- +
250mg
95%
in stock  
$160.00   $112.00
- +
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Technical Information
Catalog Number:
AA000Z3I
Chemical Name:
Benzoic acid, 4-(1-cyano-1-methylethyl)-, methyl ester
CAS Number:
129488-73-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD19694853
SMILES:
COC(=O)c1ccc(cc1)C(C#N)(C)C
Properties
Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Literature
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SDS
Tags:129488-73-9 Molecular Formula|129488-73-9 MDL|129488-73-9 SMILES|129488-73-9 Benzoic acid, 4-(1-cyano-1-methylethyl)-, methyl ester