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Home > Nitro Compounds > 1466-48-4
1466-48-4 | Heptanedinitrile, 4-(2-cyanoethyl)-4-nitro-
CAS No: 1466-48-4 Catalog No: AG001E6M MDL No:MFCD00013830
Product Description
Catalog Number:
AG001E6M
Chemical Name:
Heptanedinitrile, 4-(2-cyanoethyl)-4-nitro-
CAS Number:
1466-48-4
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD00013830
IUPAC Name:
4-(2-cyanoethyl)-4-nitroheptanedinitrile
InChI:
InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2
InChI Key:
MUPJJZVGSOUSFH-UHFFFAOYSA-N
SMILES:
N#CCCC([N+](=O)[O-])(CCC#N)CCC#N
EC Number:
215-983-3
NSC Number:
680512
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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