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Home > Nitro Compounds > 125065-88-5
125065-88-5 | 2,5-Cyclohexadien-1-one, 4-methyl-2,4-dinitro-
CAS No: 125065-88-5 Catalog No: AG000N38 MDL No:
Product Description
Catalog Number:
AG000N38
Chemical Name:
2,5-Cyclohexadien-1-one, 4-methyl-2,4-dinitro-
CAS Number:
125065-88-5
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
IUPAC Name:
4-methyl-2,4-dinitrocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C7H6N2O5/c1-7(9(13)14)3-2-6(10)5(4-7)8(11)12/h2-4H,1H3
InChI Key:
MHTXVAUYCVKTPV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CC(C)(C=CC1=O)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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