Home Nitriles 4-(2,3-dimethylphenoxy)butanenitrile

4-(2,3-dimethylphenoxy)butanenitrile

CAS No.:
896657-11-7
Catalog Number:
AG01AA1O
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01AA1O
Chemical Name:
4-(2,3-dimethylphenoxy)butanenitrile
CAS Number:
896657-11-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD08087461
IUPAC Name:
4-(2,3-dimethylphenoxy)butanenitrile
InChI:
InChI=1S/C12H15NO/c1-10-6-5-7-12(11(10)2)14-9-4-3-8-13/h5-7H,3-4,9H2,1-2H3
InChI Key:
OMJJDWCZJGCLHW-UHFFFAOYSA-N
SMILES:
Cc1c(OCCCC#N)cccc1C
Properties
Complexity:
206  
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:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties