Home Nitriles 4-Isopropoxybenzonitrile

4-Isopropoxybenzonitrile

CAS No.:
91949-95-0
Catalog Number:
AG00IGYP
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00IGYP
Chemical Name:
4-Isopropoxybenzonitrile
CAS Number:
91949-95-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09929011
IUPAC Name:
4-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H11NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
InChI Key:
OJZKKEGJFOAAAV-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C#N)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties