Home Nitriles Benzonitrile, 4-hydroxy-3-methoxy-5-methyl-

Benzonitrile, 4-hydroxy-3-methoxy-5-methyl-

CAS No.:
173900-47-5
Catalog Number:
AG001Z9R
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG001Z9R
Chemical Name:
Benzonitrile, 4-hydroxy-3-methoxy-5-methyl-
CAS Number:
173900-47-5
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD18432784
IUPAC Name:
4-hydroxy-3-methoxy-5-methylbenzonitrile
InChI:
InChI=1S/C9H9NO2/c1-6-3-7(5-10)4-8(12-2)9(6)11/h3-4,11H,1-2H3
InChI Key:
GDTYZCNHSKOBBE-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1O)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties