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63124-12-9 | 3-hydroxyquinoline-6-carbonitrile
CAS No: 63124-12-9 Catalog No: AG01B6RD MDL No:MFCD18415957
Product Description
Catalog Number:
AG01B6RD
Chemical Name:
3-hydroxyquinoline-6-carbonitrile
CAS Number:
63124-12-9
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18415957
IUPAC Name:
3-hydroxyquinoline-6-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-7-1-2-10-8(3-7)4-9(13)6-12-10/h1-4,6,13H
InChI Key:
TWOUAFLIYSZTAT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(cn2)O
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:
1.8
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