Home Nitriles 4-hydroxy-2-(2-methylpropoxy)benzonitrile

4-hydroxy-2-(2-methylpropoxy)benzonitrile

CAS No.:
1881328-97-7
Catalog Number:
AG00I2IA
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$400
- +
5g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00I2IA
Chemical Name:
4-hydroxy-2-(2-methylpropoxy)benzonitrile
CAS Number:
1881328-97-7
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD29044576
IUPAC Name:
4-hydroxy-2-(2-methylpropoxy)benzonitrile
InChI:
InChI=1S/C11H13NO2/c1-8(2)7-14-11-5-10(13)4-3-9(11)6-12/h3-5,8,13H,7H2,1-2H3
InChI Key:
XJCLJFCBXTZUCM-UHFFFAOYSA-N
SMILES:
CC(COc1cc(O)ccc1C#N)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:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties