Home Nitriles 5-Methyl-1,3-benzenediacetonitrile

5-Methyl-1,3-benzenediacetonitrile

CAS No.:
120511-74-2
Catalog Number:
AG00HFHY
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$151
- +
5g
98%(GC)
In Stock USA
United States
$308
- +
25g
98%(GC)
In Stock USA
United States
$886
- +
Product Description
Catalog Number:
AG00HFHY
Chemical Name:
5-Methyl-1,3-benzenediacetonitrile
CAS Number:
120511-74-2
MDL Number:
MFCD07782113
IUPAC Name:
2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile
InChI:
InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3
InChI Key:
XJCXEUYJQHPEAE-UHFFFAOYSA-N
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties