Home Nitriles 3,4-diethoxybenzonitrile

3,4-diethoxybenzonitrile

CAS No.:
60758-87-4
Catalog Number:
AG00EAQ5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG00EAQ5
Chemical Name:
3,4-diethoxybenzonitrile
CAS Number:
60758-87-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD02256165
IUPAC Name:
3,4-diethoxybenzonitrile
InChI:
InChI=1S/C11H13NO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
AQPTYFCFZUQSLC-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)ccc1OCC
Properties
Complexity:
209  
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:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties