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Home > Nitro Compounds > 285992-17-8
285992-17-8 | 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-5,7-dinitro-
CAS No: 285992-17-8 Catalog No: AG002VSX MDL No:
Product Description
Catalog Number:
AG002VSX
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-5,7-dinitro-
CAS Number:
285992-17-8
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
IUPAC Name:
2-hydroxy-3,5-dinitro-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C10H10N2O6/c1-5(2)6-3-9(13)10(14)8(12(17)18)4-7(6)11(15)16/h3-5H,1-2H3,(H,13,14)
InChI Key:
WISLDPKAQATOCV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(=O)c(cc1C(C)C)O
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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