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85870-50-4 | 3-Quinolinecarboxylic acid, 6-amino-1,2-dihydro-2-oxo-
CAS No: 85870-50-4 Catalog No: AG004WVU MDL No:
Product Description
Catalog Number:
AG004WVU
Chemical Name:
3-Quinolinecarboxylic acid, 6-amino-1,2-dihydro-2-oxo-
CAS Number:
85870-50-4
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
6-amino-2-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8/h1-4H,11H2,(H,12,13)(H,14,15)
InChI Key:
DIOKGSRWVHKXED-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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