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Home > Nitro Compounds > 84065-79-2
84065-79-2 | Heptanenitrile, 2-methyl-2-nitro-
CAS No: 84065-79-2 Catalog No: AG004T73 MDL No:
Product Description
Catalog Number:
AG004T73
Chemical Name:
Heptanenitrile, 2-methyl-2-nitro-
CAS Number:
84065-79-2
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
2-methyl-2-nitroheptanenitrile
InChI:
InChI=1S/C8H14N2O2/c1-3-4-5-6-8(2,7-9)10(11)12/h3-6H2,1-2H3
InChI Key:
JRKMURGBCZKAJD-UHFFFAOYSA-N
SMILES:
CCCCCC([N+](=O)[O-])(C#N)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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