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Home Nitros 4-Methyl-3,5-dinitrobenzoic acid

4-Methyl-3,5-dinitrobenzoic acid

CAS No.:
16533-71-4
Catalog Number:
AG001W3Z
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$40
- +
5g
95%
In Stock USA
United States
$73
- +
25g
95%
In Stock USA
United States
$152
- +
Product Description
Catalog Number:
AG001W3Z
Chemical Name:
4-Methyl-3,5-dinitrobenzoic acid
CAS Number:
16533-71-4
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
MDL Number:
MFCD00007175
IUPAC Name:
4-methyl-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
LZWWZQXBKVZKIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
EC Number:
240-603-8
NSC Number:
5589
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.144g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
(Methanol-κO)(2-methyl-3,5-dinitro-benzoato-κO)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20110501
Hydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds. Chemical communications (Cambridge, England) 20050414
Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine. Inorganic chemistry 20040126
Properties