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Home > Nitro Compounds > 87740-97-4
87740-97-4 | [1,1'-Bicyclododecyl]-1-carbonitrile, 1'-nitro-
CAS No: 87740-97-4 Catalog No: AG004FMA MDL No:
Product Description
Catalog Number:
AG004FMA
Chemical Name:
[1,1'-Bicyclododecyl]-1-carbonitrile, 1'-nitro-
CAS Number:
87740-97-4
Molecular Formula:
C25H44N2O2
Molecular Weight:
404.6291
IUPAC Name:
1-(1-nitrocyclododecyl)cyclododecane-1-carbonitrile
InChI:
InChI=1S/C25H44N2O2/c26-23-24(19-15-11-7-3-1-4-8-12-16-20-24)25(27(28)29)21-17-13-9-5-2-6-10-14-18-22-25/h1-22H2
InChI Key:
JZWHVOOSNLHRDA-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCCCCCCCC1)C1(CCCCCCCCCCC1)[N+](=O)[O-]
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.34g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.639g/mol
Monoisotopic Mass:
404.34g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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