Home Nitriles 1-benzylcyclohex-2-ene-1-carbonitrile

1-benzylcyclohex-2-ene-1-carbonitrile

CAS No.:
1922970-93-1
Catalog Number:
AG01BVHM
Molecular Formula:
C14H15N
Molecular Weight:
197.2756
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Product Description
Catalog Number:
AG01BVHM
Chemical Name:
1-benzylcyclohex-2-ene-1-carbonitrile
CAS Number:
1922970-93-1
Molecular Formula:
C14H15N
Molecular Weight:
197.2756
MDL Number:
MFCD30497584
IUPAC Name:
1-benzylcyclohex-2-ene-1-carbonitrile
InChI:
InChI=1S/C14H15N/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-5,7-9H,2,6,10-11H2
InChI Key:
HFLLXSCNUFVJMQ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC=C1)Cc1ccccc1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.12g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.281g/mol
Monoisotopic Mass:
197.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties