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13669-61-9 | 3-Quinolinecarbonitrile, 4-hydroxy-6-methoxy-
CAS No: 13669-61-9 Catalog No: AG001280 MDL No:MFCD09743998
Product Description
Catalog Number:
AG001280
Chemical Name:
3-Quinolinecarbonitrile, 4-hydroxy-6-methoxy-
CAS Number:
13669-61-9
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09743998
IUPAC Name:
6-methoxy-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O2/c1-15-8-2-3-10-9(4-8)11(14)7(5-12)6-13-10/h2-4,6H,1H3,(H,13,14)
InChI Key:
OTDUOKQHVNMOLT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(O)c(cn2)C#N
NSC Number:
366401
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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