Home Nitriles Acetonitrile, (4-hydroxyphenoxy)-

Acetonitrile, (4-hydroxyphenoxy)-

CAS No.:
96562-56-0
Catalog Number:
AG00IJTW
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
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Product Description
Catalog Number:
AG00IJTW
Chemical Name:
Acetonitrile, (4-hydroxyphenoxy)-
CAS Number:
96562-56-0
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11181773
IUPAC Name:
2-(4-hydroxyphenoxy)acetonitrile
InChI:
InChI=1S/C8H7NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,6H2
InChI Key:
KDTJYHQWVKLPNI-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)O
Properties
Complexity:
153  
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:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties