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127980-50-1 | 5-Quinolinecarboxylic acid, 3,4-dihydroxy-
CAS No: 127980-50-1 Catalog No: AG000XMH MDL No:
Product Description
Catalog Number:
AG000XMH
Chemical Name:
5-Quinolinecarboxylic acid, 3,4-dihydroxy-
CAS Number:
127980-50-1
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
3-hydroxy-4-oxo-1H-quinoline-5-carboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-7-4-11-6-3-1-2-5(10(14)15)8(6)9(7)13/h1-4,12H,(H,11,13)(H,14,15)
InChI Key:
UUTYYVPMLXJSBY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(O)c(cn2)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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