Home Nitriles 2-(2-methylpropoxy)benzonitrile

2-(2-methylpropoxy)benzonitrile

CAS No.:
902093-98-5
Catalog Number:
AG019LO2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG019LO2
Chemical Name:
2-(2-methylpropoxy)benzonitrile
CAS Number:
902093-98-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD09945868
IUPAC Name:
2-(2-methylpropoxy)benzonitrile
InChI:
InChI=1S/C11H13NO/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9H,8H2,1-2H3
InChI Key:
XFQVUWGQZLJGJQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCC(C)C
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties