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15000-43-8 | 3-Quinolinecarbonitrile, 1,2-dihydro-4-hydroxy-2-oxo-
CAS No: 15000-43-8 Catalog No: AG001M7L MDL No:MFCD00218557
Product Description
Catalog Number:
AG001M7L
Chemical Name:
3-Quinolinecarbonitrile, 1,2-dihydro-4-hydroxy-2-oxo-
CAS Number:
15000-43-8
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
MDL Number:
MFCD00218557
IUPAC Name:
4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChI Key:
CRRUFISVDCIBAP-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c(c1O)cccc2
NSC Number:
691971
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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