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Home > Nitro Compounds > 128478-71-7
128478-71-7 | Tricyclo[3.3.1.13,7]decane-2-carbonitrile, 2-nitro-
CAS No: 128478-71-7 Catalog No: AG000Y4U MDL No:
Product Description
Catalog Number:
AG000Y4U
Chemical Name:
Tricyclo[3.3.1.13,7]decane-2-carbonitrile, 2-nitro-
CAS Number:
128478-71-7
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
2-nitroadamantane-2-carbonitrile
InChI:
InChI=1S/C11H14N2O2/c12-6-11(13(14)15)9-2-7-1-8(4-9)5-10(11)3-7/h7-10H,1-5H2
InChI Key:
XQLWYBZMHPYUES-UHFFFAOYSA-N
SMILES:
N#CC1(C2CC3CC1CC(C2)C3)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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