Home Nitriles 3-phenylbutanenitrile

3-phenylbutanenitrile

CAS No.:
20132-76-7
Catalog Number:
AG01A564
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
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Product Description
Catalog Number:
AG01A564
Chemical Name:
3-phenylbutanenitrile
CAS Number:
20132-76-7
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD19300928
IUPAC Name:
3-phenylbutanenitrile
InChI:
InChI=1S/C10H11N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI Key:
JBDOBSSRYFZPAN-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CC#N
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties