Home Nitriles 3-hydroxy-5-methoxybenzonitrile

3-hydroxy-5-methoxybenzonitrile

CAS No.:
124993-53-9
Catalog Number:
AG009Y3I
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
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Product Description
Catalog Number:
AG009Y3I
Chemical Name:
3-hydroxy-5-methoxybenzonitrile
CAS Number:
124993-53-9
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11520902
IUPAC Name:
3-hydroxy-5-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO2/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4,10H,1H3
InChI Key:
QBXVEVNURVZFTM-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties