Home Nitriles 3-(Oxolan-2-ylmethoxy)benzonitrile

3-(Oxolan-2-ylmethoxy)benzonitrile

CAS No.:
1016853-20-5
Catalog Number:
AG0094BD
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0094BD
Chemical Name:
3-(Oxolan-2-ylmethoxy)benzonitrile
CAS Number:
1016853-20-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD09946912
IUPAC Name:
3-(oxolan-2-ylmethoxy)benzonitrile
InChI:
InChI=1S/C12H13NO2/c13-8-10-3-1-4-11(7-10)15-9-12-5-2-6-14-12/h1,3-4,7,12H,2,5-6,9H2
InChI Key:
OZNVHOVYAZOZCQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OCC1CCCO1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties