Home Nitriles 3-(2,3,5-trimethylphenoxy)propanenitrile

3-(2,3,5-trimethylphenoxy)propanenitrile

CAS No.:
3649-04-5
Catalog Number:
AG019MS5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019MS5
Chemical Name:
3-(2,3,5-trimethylphenoxy)propanenitrile
CAS Number:
3649-04-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD10695617
IUPAC Name:
3-(2,3,5-trimethylphenoxy)propanenitrile
InChI:
InChI=1S/C12H15NO/c1-9-7-10(2)11(3)12(8-9)14-6-4-5-13/h7-8H,4,6H2,1-3H3
InChI Key:
VKGCVXOAJGCDFY-UHFFFAOYSA-N
SMILES:
N#CCCOc1cc(C)cc(c1C)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties