Home Nitriles 3,4-Dimethylbenzonitrile

3,4-Dimethylbenzonitrile

CAS No.:
22884-95-3
Catalog Number:
AG002LCF
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$42
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG002LCF
Chemical Name:
3,4-Dimethylbenzonitrile
CAS Number:
22884-95-3
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00016380
IUPAC Name:
3,4-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
InChI Key:
OWISXYQFTOYGRO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)C
EC Number:
245-293-8
UNII:
9478C1670I
Properties
Complexity:
153  
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:
2.9  
Properties