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83734-43-4 | 5-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
CAS No: 83734-43-4 Catalog No: AG0036FM MDL No:MFCD11557267
Product Description
Catalog Number:
AG0036FM
Chemical Name:
5-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
CAS Number:
83734-43-4
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD11557267
IUPAC Name:
2-oxo-1H-quinoline-5-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChI Key:
MYHZJFNXPLDYNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1ccc(=O)[nH]2
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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