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937672-23-6 | 6-ETHYL-2-HYDROXYQUINOLINE-3-CARBONITRILE
CAS No: 937672-23-6 Catalog No: AG01C98W MDL No:MFCD09035787
Product Description
Catalog Number:
AG01C98W
Chemical Name:
6-ETHYL-2-HYDROXYQUINOLINE-3-CARBONITRILE
CAS Number:
937672-23-6
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD09035787
IUPAC Name:
6-ethyl-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-2-8-3-4-11-9(5-8)6-10(7-13)12(15)14-11/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
CQGVLVGXWWBVIW-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)cc(c(n2)O)C#N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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