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2059954-70-8 | 2,4-dihydroxy-5-methylquinoline-3-carbonitrile
CAS No: 2059954-70-8 Catalog No: AG01B753 MDL No:MFCD30344981
Product Description
Catalog Number:
AG01B753
Chemical Name:
2,4-dihydroxy-5-methylquinoline-3-carbonitrile
CAS Number:
2059954-70-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD30344981
IUPAC Name:
4-hydroxy-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O2/c1-6-3-2-4-8-9(6)10(14)7(5-12)11(15)13-8/h2-4H,1H3,(H2,13,14,15)
InChI Key:
QMYOMWCJSYOYRO-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)nc2c(c1O)c(C)ccc2
Properties
Complexity:
377
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:
2
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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