CAS No.: 14698-29-4 — Oxolinic Acid (-)

1. Primary Information

English name:	Oxolinic Acid
CAS No.:	14698-29-4
Molecular formula:	C₁₃H₁₁NO₅
Molecular weight:	261.23 g/mol
SMILES:	CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
Structural class:
Other identifiers:	Acid, Oxolinic Gramurin Oxolinate, Sodium Oxolinic Acid Sodium Oxolinate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥97%	560	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	-20℃；避光	in stock	-
Kehua Intelligence	1g	≥97%	32	2-8℃	in stock	-
Kehua Intelligence	5g	≥97%	64	2-8℃	in stock	-
Kehua Intelligence	25g	≥97%	224	2-8℃	in stock	-
Kehua Intelligence	100g	≥97%	712	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 0 0 0 0 0 0999 V2000 -4.0523 0.6245 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 -1.7335 -0.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -2.4292 -0.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -1.9272 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 0.0412 -0.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 1.5661 0.2854 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 0.7231 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 -0.6777 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 1.2038 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 2.9988 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 0.3086 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -1.0351 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 -1.5643 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 1.0180 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.2320 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -0.2750 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -0.6750 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 3.7340 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -0.6691 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 2.2521 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 3.2278 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 3.4105 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 -2.6298 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 1.7638 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 -0.6511 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 -0.8930 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 3.5805 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 3.3933 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 4.8092 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -2.2282 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 30 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

4.2 InChI

InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)

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)

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)