Home Nitriles 2-Mesitylacetonitrile

2-Mesitylacetonitrile

CAS No.:
34688-71-6
Catalog Number:
AG003FNW
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$212
- +
Product Description
Catalog Number:
AG003FNW
Chemical Name:
2-Mesitylacetonitrile
CAS Number:
34688-71-6
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00013815
IUPAC Name:
2-(2,4,6-trimethylphenyl)acetonitrile
InChI:
InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3
InChI Key:
SDKQOGSGNPGPRN-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)cc(cc1C)C
EC Number:
252-151-9
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties