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117132-55-5 | Hexane, 3,4-diethyl-3,4-dinitro-
CAS No: 117132-55-5 Catalog No: AG000DRY MDL No:
Product Description
Catalog Number:
AG000DRY
Chemical Name:
Hexane, 3,4-diethyl-3,4-dinitro-
CAS Number:
117132-55-5
Molecular Formula:
C10H20N2O4
Molecular Weight:
232.2768
IUPAC Name:
3,4-diethyl-3,4-dinitrohexane
InChI:
InChI=1S/C10H20N2O4/c1-5-9(6-2,11(13)14)10(7-3,8-4)12(15)16/h5-8H2,1-4H3
InChI Key:
AURIJOQYSQBRSU-UHFFFAOYSA-N
SMILES:
CCC(C([N+](=O)[O-])(CC)CC)([N+](=O)[O-])CC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.28g/mol
Monoisotopic Mass:
232.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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