Home Nitro Compounds 1955-46-0
1955-46-0,MFCD00009793
Catalog No.:AA00I3B8

1955-46-0 | 5-Nitroisophthalic acid monomethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$21.00   $15.00
- +
25g
95%
in stock  
$45.00   $32.00
- +
100g
95%
in stock  
$95.00   $67.00
- +
500g
95%
in stock  
$237.00   $166.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00I3B8
Chemical Name:
5-Nitroisophthalic acid monomethyl ester
CAS Number:
1955-46-0
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD00009793
SMILES:
COC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Properties
 
BP:
360.199 °C at 760 mmHg  
Form:
Solid  
MP:
180-182 °C(lit.)  
Refractive Index:
1.5200 (estimate)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
310  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.5  

Literature

Title: Methyl 3-carboxy-5-nitrobenzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

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Tags:1955-46-0 Molecular Formula|1955-46-0 MDL|1955-46-0 SMILES|1955-46-0 5-Nitroisophthalic acid monomethyl ester |Organic_Building_Blocks