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52791-03-4,MFCD18432414
Catalog No.:AA00355P

52791-03-4 | Methyl 7-nitro-1,4-benzodioxane-6-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$186.00   $130.00
- +
100mg
95%
3 weeks  
$222.00   $155.00
- +
250mg
95%
3 weeks  
$267.00   $187.00
- +
500mg
95%
3 weeks  
$354.00   $248.00
- +
1g
95%
3 weeks  
$422.00   $295.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00355P
Chemical Name:
Methyl 7-nitro-1,4-benzodioxane-6-carboxylate
CAS Number:
52791-03-4
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD18432414
SMILES:
COC(=O)c1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Properties
 
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
314  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Patent:CN104557955,2017,B.Locationinpatent:Paragraph0176;0178

[2]Patent:WO2009/151561,2009,A2.Locationinpatent:Page/Pagecolumn68

[3]JournalofMedicinalChemistry,2000,vol.43,p.3244-3256

[4]ChemischeBerichte,1958,vol.91,p.2239,2241,2245

[5]Patent:US3931179,1976,A

[6]Patent:US4011323,1977,A

[7]Patent:US6288082,2001,B1

[8]BioorganicandMedicinalChemistry,2008,vol.16,p.7254-7263

[9]Patent:EP1117659,2003,B1.Locationinpatent:Page72

Literature
Quotation Request
Company Name:
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Additional Info:
Submit
SDS
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Tags:52791-03-4 Molecular Formula|52791-03-4 MDL|52791-03-4 SMILES|52791-03-4 Methyl 7-nitro-1,4-benzodioxane-6-carboxylate
Catalog No.: AA00355P
52791-03-4,MFCD18432414
52791-03-4 | Methyl 7-nitro-1,4-benzodioxane-6-carboxylate
Pack Size： 50mg
Purity： 95%
3 weeks
$186.00 $130.00
Pack Size： 100mg
Purity： 95%
3 weeks
$222.00 $155.00
Pack Size： 250mg
Purity： 95%
3 weeks
$267.00 $187.00
Pack Size： 500mg
Purity： 95%
3 weeks
$354.00 $248.00
Pack Size： 1g
Purity： 95%
3 weeks
$422.00 $295.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00355P
Chemical Name: Methyl 7-nitro-1,4-benzodioxane-6-carboxylate
CAS Number: 52791-03-4
Molecular Formula: C10H9NO6
Molecular Weight: 239.1816
MDL Number: MFCD18432414
SMILES: COC(=O)c1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Storage: Room Temperature;  
Complexity: 314  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 6  
Rotatable Bond Count: 2  
XLogP3: 1.3  
Downstream Synthesis Route
20197-75-5    52791-03-4 

[1]Patent:CN104557955,2017,B.Locationinpatent:Paragraph0176;0178

[2]Patent:WO2009/151561,2009,A2.Locationinpatent:Page/Pagecolumn68

[3]JournalofMedicinalChemistry,2000,vol.43,p.3244-3256

[4]ChemischeBerichte,1958,vol.91,p.2239,2241,2245

[5]Patent:US3931179,1976,A

[6]Patent:US4011323,1977,A

[7]Patent:US6288082,2001,B1

[8]BioorganicandMedicinalChemistry,2008,vol.16,p.7254-7263

[9]Patent:EP1117659,2003,B1.Locationinpatent:Page72

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