Home Nitriles 3,5-Dimethylbenzonitrile

3,5-Dimethylbenzonitrile

CAS No.:
22445-42-7
Catalog Number:
AG003IOU
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$188
- +
500g
98%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG003IOU
Chemical Name:
3,5-Dimethylbenzonitrile
CAS Number:
22445-42-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00060670
IUPAC Name:
3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3
InChI Key:
YFKRLZLGVDDKAL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)C
EC Number:
245-001-9
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties