CAS No.: 5852-78-8 — 8-Hydroxy-5-quinolinecarboxylic acid (8-Hydroxyquinoline-5-carboxylic Acid)

1. Primary Information

English name:	8-Hydroxy-5-quinolinecarboxylic acid
CAS No.:	5852-78-8
Molecular formula:	C₁₀H₇NO₃
Molecular weight:	189.17 g/mol
SMILES:	C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O
Structural class:
Other identifiers:	5-carboxy-8-hydroxyquinoline 8-hydroxy-5-quinolinecarboxylic acid IOX1 compound

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	97%	488	2-8℃	in stock	-
Kehua Intelligence	10mg	97%	680	2-8℃	in stock	-
Kehua Intelligence	50mg	97%	1240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 21 22 0 0 0 0 0 0 0999 V2000 2.6443 2.0658 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -0.2615 -1.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 -0.3311 1.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -0.6725 -0.0106 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -0.4270 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 0.1125 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 0.4222 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 1.4981 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 1.8043 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 -1.8218 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 2.3426 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -2.6333 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -2.0139 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -0.0843 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 2.4699 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 -2.3012 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 3.4226 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 -3.7134 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -2.5971 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 3.0341 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 -0.6022 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 21 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

8-hydroxyquinoline-5-carboxylic acid

4.2 InChI

InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)

4.3 InChIKey

JGRPKOGHYBAVMW-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)