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181021-86-3 | 4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-
CAS No: 181021-86-3 Catalog No: AG0022M6 MDL No:MFCD24394891
Product Description
Catalog Number:
AG0022M6
Chemical Name:
4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-
CAS Number:
181021-86-3
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD24394891
IUPAC Name:
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylic acid
InChI:
InChI=1S/C10H11NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
InChI Key:
UHPGAHWIJWPXEA-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2CCCCc2c(c1)C(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents. | Bioorganic & medicinal chemistry letters 20120715 |
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