Home Other Building Blocks 2-(4-NEOPENTYLPHENYL)ACETONITRILE

2-(4-NEOPENTYLPHENYL)ACETONITRILE

CAS No.:
1894868-72-4
Catalog Number:
AG01DMCE
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
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Product Description
Catalog Number:
AG01DMCE
Chemical Name:
2-(4-NEOPENTYLPHENYL)ACETONITRILE
CAS Number:
1894868-72-4
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD30529831
IUPAC Name:
2-[4-(2,2-dimethylpropyl)phenyl]acetonitrile
InChI:
InChI=1S/C13H17N/c1-13(2,3)10-12-6-4-11(5-7-12)8-9-14/h4-7H,8,10H2,1-3H3
InChI Key:
YXLVEBASJJUCTR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)CC(C)(C)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties