Home Nitriles 4-[cyano(hydroxy)methyl]benzonitrile

4-[cyano(hydroxy)methyl]benzonitrile

CAS No.:
15464-07-0
Catalog Number:
AG01AN5M
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
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Product Description
Catalog Number:
AG01AN5M
Chemical Name:
4-[cyano(hydroxy)methyl]benzonitrile
CAS Number:
15464-07-0
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD12169333
IUPAC Name:
4-[cyano(hydroxy)methyl]benzonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,9,12H
InChI Key:
RKXDJWPWCJQMKO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(C#N)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties