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Home > Nitro Compounds > 87740-88-3
87740-88-3 | Cyclododecanecarbonitrile, 1-(nitromethyl)-
CAS No: 87740-88-3 Catalog No: AG004FMD MDL No:
Product Description
Catalog Number:
AG004FMD
Chemical Name:
Cyclododecanecarbonitrile, 1-(nitromethyl)-
CAS Number:
87740-88-3
Molecular Formula:
C14H24N2O2
Molecular Weight:
252.3526
IUPAC Name:
1-(nitromethyl)cyclododecane-1-carbonitrile
InChI:
InChI=1S/C14H24N2O2/c15-12-14(13-16(17)18)10-8-6-4-2-1-3-5-7-9-11-14/h1-11,13H2
InChI Key:
JAWBPEPNAYXURJ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCCCCCCCC1)C[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.358g/mol
Monoisotopic Mass:
252.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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