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Home > Nitro Compounds > 188739-22-2
188739-22-2 | 2-Hexene, 2,5-dimethyl-4,5-dinitro-
CAS No: 188739-22-2 Catalog No: AG002H8R MDL No:
Product Description
Catalog Number:
AG002H8R
Chemical Name:
2-Hexene, 2,5-dimethyl-4,5-dinitro-
CAS Number:
188739-22-2
Molecular Formula:
C8H14N2O4
Molecular Weight:
202.2078
IUPAC Name:
2,5-dimethyl-4,5-dinitrohex-2-ene
InChI:
InChI=1S/C8H14N2O4/c1-6(2)5-7(9(11)12)8(3,4)10(13)14/h5,7H,1-4H3
InChI Key:
CSICVNAGPYKEJH-UHFFFAOYSA-N
SMILES:
CC(=CC(C([N+](=O)[O-])(C)C)[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.21g/mol
Monoisotopic Mass:
202.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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