Home Nitriles Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,(1R,2S,4R)-rel-

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,(1R,2S,4R)-rel-

CAS No.:
2890-96-2
Catalog Number:
AG007JOB
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
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Product Description
Catalog Number:
AG007JOB
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,(1R,2S,4R)-rel-
CAS Number:
2890-96-2
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
MDL Number:
MFCD14155888
IUPAC Name:
(2S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2/t6?,7?,8-/m1/s1
InChI Key:
BMAXQTDMWYDIJX-KAVNDROISA-N
SMILES:
N#C[C@H]1CC2CC1C=C2
NSC Number:
76083
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
119.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.167g/mol
Monoisotopic Mass:
119.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties