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Home > Nitro Compounds > 1781-70-0
1781-70-0 | Cyclododecane, nitro-
CAS No: 1781-70-0 Catalog No: AG0025S3 MDL No:
Product Description
Catalog Number:
AG0025S3
Chemical Name:
Cyclododecane, nitro-
CAS Number:
1781-70-0
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
IUPAC Name:
nitrocyclododecane
InChI:
InChI=1S/C12H23NO2/c14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
InChI Key:
WGQSPSMCVCWUDO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCCCCCCCC1
NSC Number:
159019
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.321g/mol
Monoisotopic Mass:
213.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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