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Home > Nitro Compounds > 81566-88-3
81566-88-3 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dinitro-
CAS No: 81566-88-3 Catalog No: AG005JSI MDL No:
Product Description
Catalog Number:
AG005JSI
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dinitro-
CAS Number:
81566-88-3
Molecular Formula:
C6H2N2O6
Molecular Weight:
198.0899
IUPAC Name:
2,5-dinitrocyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C6H2N2O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H
InChI Key:
LLQLDYCUZANDHD-UHFFFAOYSA-N
SMILES:
O=C1C=C([N+](=O)[O-])C(=O)C=C1[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.09g/mol
Monoisotopic Mass:
197.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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