Home Nitriles 2-[3-(2-methylpropoxy)phenyl]acetonitrile

2-[3-(2-methylpropoxy)phenyl]acetonitrile

CAS No.:
1803603-66-8
Catalog Number:
AG01B96U
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01B96U
Chemical Name:
2-[3-(2-methylpropoxy)phenyl]acetonitrile
CAS Number:
1803603-66-8
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD28383785
IUPAC Name:
2-[3-(2-methylpropoxy)phenyl]acetonitrile
InChI:
InChI=1S/C12H15NO/c1-10(2)9-14-12-5-3-4-11(8-12)6-7-13/h3-5,8,10H,6,9H2,1-2H3
InChI Key:
APCKDAHALFKKJL-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)OCC(C)C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties