Home Nitriles 3-(2-hydroxyacetyl)benzonitrile

3-(2-hydroxyacetyl)benzonitrile

CAS No.:
83112-50-9
Catalog Number:
AG01BCDI
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG01BCDI
Chemical Name:
3-(2-hydroxyacetyl)benzonitrile
CAS Number:
83112-50-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD24141517
IUPAC Name:
3-(2-hydroxyacetyl)benzonitrile
InChI:
InChI=1S/C9H7NO2/c10-5-7-2-1-3-8(4-7)9(12)6-11/h1-4,11H,6H2
InChI Key:
RPDWLOIHBKPAIE-UHFFFAOYSA-N
SMILES:
OCC(=O)c1cccc(c1)C#N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties