Home Nitriles 4-(2-Methylpropoxy)benzonitrile

4-(2-Methylpropoxy)benzonitrile

CAS No.:
5203-15-6
Catalog Number:
AG00DKFP
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00DKFP
Chemical Name:
4-(2-Methylpropoxy)benzonitrile
CAS Number:
5203-15-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD08274895
IUPAC Name:
4-(2-methylpropoxy)benzonitrile
InChI:
InChI=1S/C11H13NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9H,8H2,1-2H3
InChI Key:
QWMUMFXFUCDJJI-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1)C#N)C
Properties
Complexity:
184  
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:
2.9  
Properties