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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
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature
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SDS
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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
Catalog No.: AA000KA7
123330-91-6,MFCD08703415
123330-91-6 | Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester
Pack Size： 250mg
Purity： 95%
in stock
$274.00 $192.00
Pack Size： 1g
Purity： 95%
in stock
$611.00 $428.00
Pack Size： 5g
Purity： 95%
in stock
$1,731.00 $1,212.00
Quantity
- +
Add to Card
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bulk Quotation Request
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
Complexity: 317  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
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