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Home > Other Heterocycles > 83249-01-8
83249-01-8 | 3-phenylbicyclo[1.1.1]pentane-1-carbonitrile
CAS No: 83249-01-8 Catalog No: AG01DWP1 MDL No:
Product Description
Catalog Number:
AG01DWP1
Chemical Name:
3-phenylbicyclo[1.1.1]pentane-1-carbonitrile
CAS Number:
83249-01-8
Molecular Formula:
C12H11N
Molecular Weight:
169.2224
IUPAC Name:
3-phenylbicyclo[1.1.1]pentane-1-carbonitrile
InChI:
InChI=1S/C12H11N/c13-9-11-6-12(7-11,8-11)10-4-2-1-3-5-10/h1-5H,6-8H2
InChI Key:
MKXLZMSGWPUXMP-UHFFFAOYSA-N
SMILES:
N#CC12CC(C1)(C2)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.227g/mol
Monoisotopic Mass:
169.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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