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83734-48-9 | 8-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
CAS No: 83734-48-9 Catalog No: AG004T5Q MDL No:MFCD20617588
Product Description
Catalog Number:
AG004T5Q
Chemical Name:
8-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
CAS Number:
83734-48-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD20617588
IUPAC Name:
2-oxo-1H-quinoline-8-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-8-5-4-6-2-1-3-7(10(13)14)9(6)11-8/h1-5H,(H,11,12)(H,13,14)
InChI Key:
IUYCBTVFCWIZRW-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)c(ccc2)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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