Home Nitros 2,4-dimethyl-3,5-dinitrobenzoic acid

2,4-dimethyl-3,5-dinitrobenzoic acid

CAS No.:
854671-69-5
Catalog Number:
AG01A8BU
Molecular Formula:
C9H8N2O6
Molecular Weight:
240.1696
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Product Description
Catalog Number:
AG01A8BU
Chemical Name:
2,4-dimethyl-3,5-dinitrobenzoic acid
CAS Number:
854671-69-5
Molecular Formula:
C9H8N2O6
Molecular Weight:
240.1696
MDL Number:
MFCD09702152
IUPAC Name:
2,4-dimethyl-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C9H8N2O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3,(H,12,13)
InChI Key:
OKNMMXSNHQCDPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.171g/mol
Monoisotopic Mass:
240.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties