Home Nitriles 3-(2-ethoxyethoxy)benzonitrile

3-(2-ethoxyethoxy)benzonitrile

CAS No.:
1095085-73-6
Catalog Number:
AG008Y8I
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG008Y8I
Chemical Name:
3-(2-ethoxyethoxy)benzonitrile
CAS Number:
1095085-73-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD09907641
IUPAC Name:
3-(2-ethoxyethoxy)benzonitrile
InChI:
InChI=1S/C11H13NO2/c1-2-13-6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,2,6-7H2,1H3
InChI Key:
UEJHTAJAQBBIFS-UHFFFAOYSA-N
SMILES:
CCOCCOc1cccc(c1)C#N
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties