Home Nitriles 3-oxa-6-azatricyclo[6.1.1.0,1,6]decane-4-carbonitrile

3-oxa-6-azatricyclo[6.1.1.0,1,6]decane-4-carbonitrile

CAS No.:
2089277-63-2
Catalog Number:
AG01E97R
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01E97R
Chemical Name:
3-oxa-6-azatricyclo[6.1.1.0,1,6]decane-4-carbonitrile
CAS Number:
2089277-63-2
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD30619867
IUPAC Name:
3-oxa-6-azatricyclo[6.1.1.01,6]decane-4-carbonitrile
InChI:
InChI=1S/C9H12N2O/c10-3-8-5-11-4-7-1-9(11,2-7)6-12-8/h7-8H,1-2,4-6H2
InChI Key:
IXGMUKPAZOSPHZ-UHFFFAOYSA-N
SMILES:
N#CC1OCC23N(C1)CC(C2)C3
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties