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71411-93-3 | Benzonitrile,2,6-diethoxy-
CAS No: 71411-93-3 Catalog No: AG005IYO MDL No:
Product Description
Catalog Number:
AG005IYO
Chemical Name:
Benzonitrile,2,6-diethoxy-
CAS Number:
71411-93-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
2,6-diethoxybenzonitrile
InChI:
InChI=1S/C11H13NO2/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12/h5-7H,3-4H2,1-2H3
InChI Key:
LYAUUADPQLFBTG-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1C#N)OCC
EC Number:
275-400-3
Properties
Complexity:
195
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:
2.3
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