Home Nitriles 2-[4-(hydroxymethyl)phenoxy]acetonitrile

2-[4-(hydroxymethyl)phenoxy]acetonitrile

CAS No.:
123226-38-0
Catalog Number:
AG01AKC2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01AKC2
Chemical Name:
2-[4-(hydroxymethyl)phenoxy]acetonitrile
CAS Number:
123226-38-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD11149454
IUPAC Name:
2-[4-(hydroxymethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H9NO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,11H,6-7H2
InChI Key:
SCFLEHVZZDTNNY-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OCC#N
Properties
Complexity:
165  
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:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties