CAS No.: 74003-63-7 — 3-Methylquinoxaline-2-carboxylic acid (3-甲基喹噁啉-2-甲酸)

1. Primary Information

English name:	3-Methylquinoxaline-2-carboxylic acid
CAS No.:	74003-63-7
Molecular formula:	C₁₀H₈N₂O₂
Molecular weight:	188.18 g/mol
SMILES:	CC1=NC2=CC=CC=C2N=C1C(=O)O
Structural class:
Other identifiers:	3-methylquinoxaline-2-carboxylic acid MQCA compound

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in methanol	152	RT	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	464	RT	in stock	-
Kehua Intelligence	10mg	97%	1280	RT	in stock	-
Kehua Intelligence	10mg	95%	128	RT	in stock	-
Kehua Intelligence	50mg	95%	288	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 23 0 0 0 0 0 0 0999 V2000 2.7531 1.9218 -0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 0.1038 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 -1.6463 -0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 1.0726 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -0.7467 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 0.6301 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -1.1833 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.1568 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 -1.1692 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 1.5336 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.2003 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 -0.2569 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 1.1003 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 0.6837 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -2.2312 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 2.6013 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 -2.2459 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -3.1970 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -1.9899 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6285 -0.6076 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 1.8215 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 2.2671 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-methylquinoxaline-2-carboxylic acid

4.2 InChI

InChI=1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)

4.3 InChIKey

BJPNADFNSANIPF-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=NC2=CC=CC=C2N=C1C(=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)