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Home > Quinoline > 123990-79-4
123990-79-4 | 3-Quinolinecarbonitrile, 1,2-dihydro-6-methoxy-2-oxo-
CAS No: 123990-79-4 Catalog No: AG000LC4 MDL No:MFCD02588850
Product Description
Catalog Number:
AG000LC4
Chemical Name:
3-Quinolinecarbonitrile, 1,2-dihydro-6-methoxy-2-oxo-
CAS Number:
123990-79-4
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD02588850
IUPAC Name:
6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,1H3,(H,13,14)
InChI Key:
YGUXGTBWQYMRDL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)[nH]2)C#N
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:
3
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:
1.2
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