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Home > Nitro Compounds > 84065-81-6
84065-81-6 | Cyclododecanecarbonitrile, 1-nitro-
CAS No: 84065-81-6 Catalog No: AG004T72 MDL No:
Product Description
Catalog Number:
AG004T72
Chemical Name:
Cyclododecanecarbonitrile, 1-nitro-
CAS Number:
84065-81-6
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
1-nitrocyclododecane-1-carbonitrile
InChI:
InChI=1S/C13H22N2O2/c14-12-13(15(16)17)10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChI Key:
RSVFQEUKDJFUHM-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCCCCCCCC1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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