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123330-91-6,MFCD08703415
Catalog No.:AA000KA7

123330-91-6 | Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$274.00   $192.00
- +
1g
95%
in stock  
$611.00   $428.00
- +
5g
95%
in stock  
$1,731.00   $1,212.00
- +
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Technical Information
Catalog Number:
AA000KA7
Chemical Name:
Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
123330-91-6
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
MDL Number:
MFCD08703415
SMILES:
COc1cc(ccc1[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
317  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
2.6  

Literature
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SDS
Tags:123330-91-6 Molecular Formula|123330-91-6 MDL|123330-91-6 SMILES|123330-91-6 Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester