Home Nitriles 3-methoxy-4-(propan-2-yloxy)benzonitrile

3-methoxy-4-(propan-2-yloxy)benzonitrile

CAS No.:
757192-64-6
Catalog Number:
AG019JQ0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019JQ0
Chemical Name:
3-methoxy-4-(propan-2-yloxy)benzonitrile
CAS Number:
757192-64-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD02256140
IUPAC Name:
3-methoxy-4-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C11H13NO2/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-6,8H,1-3H3
InChI Key:
CMXCYYYLNXSFAL-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1OC(C)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties