Home Nitriles 4-Methoxy-3,5-dimethylbenzonitrile

4-Methoxy-3,5-dimethylbenzonitrile

CAS No.:
152775-45-6
Catalog Number:
AG003ION
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$132
- +
5g
95%
1 week
United States
$323
- +
Product Description
Catalog Number:
AG003ION
Chemical Name:
4-Methoxy-3,5-dimethylbenzonitrile
CAS Number:
152775-45-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD03428544
IUPAC Name:
4-methoxy-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,1-3H3
InChI Key:
LOWLIBHYJIAZTN-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C#N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties