Home Nitriles 3-hydroxyquinoline-5-carbonitrile

3-hydroxyquinoline-5-carbonitrile

CAS No.:
1261457-64-0
Catalog Number:
AG01C73X
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
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Product Description
Catalog Number:
AG01C73X
Chemical Name:
3-hydroxyquinoline-5-carbonitrile
CAS Number:
1261457-64-0
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18415952
IUPAC Name:
3-hydroxyquinoline-5-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-7-2-1-3-10-9(7)4-8(13)6-12-10/h1-4,6,13H
InChI Key:
BMFXRNKKJGBMEH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cc(O)cn2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties