Home Nitriles 2-(2,4,5-Trimethylphenyl)acetonitrile

2-(2,4,5-Trimethylphenyl)acetonitrile

CAS No.:
75279-58-2
Catalog Number:
AG008QL9
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$116
- +
5g
1 week
United States
$199
- +
10g
1 week
United States
$314
- +
Product Description
Catalog Number:
AG008QL9
Chemical Name:
2-(2,4,5-Trimethylphenyl)acetonitrile
CAS Number:
75279-58-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00060692
IUPAC Name:
2-(2,4,5-trimethylphenyl)acetonitrile
InChI:
InChI=1S/C11H13N/c1-8-6-10(3)11(4-5-12)7-9(8)2/h6-7H,4H2,1-3H3
InChI Key:
MSZOPWWSWGLPST-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C)c(cc1C)C
Properties
Complexity:
188  
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