CAS No.: 1173020-21-7 — Indole-3-acetic acid (吲哚乙酸)

1. Primary Information

English name:	Indole-3-acetic acid
CAS No.:	1173020-21-7
Molecular formula:	C₁₀H₉NO₂
Molecular weight:	175.18 g/mol
SMILES:	C1=CC=C2C(=C1)C(=CN2)CC(=O)O
Structural class:
Other identifiers:	1H-Indole-3-acetic acid 3-indoleacetic acid 3-indolylacetic acid beta-indoleacetic acid heteroauxin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	HPLC≥98%	6800	Buy now	2-8℃	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 -4.0377 0.8285 0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 0.3540 -1.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -2.0456 -0.1506 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 0.1113 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.6146 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 -0.8099 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -1.9377 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9364 -0.0592 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 1.4678 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 -0.4408 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 1.8515 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 0.9102 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 0.3846 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 0.8058 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -0.8153 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 -2.8126 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -2.9072 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 2.2150 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 -1.1729 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 2.8964 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 1.2302 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 1.1131 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 2 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(1H-indol-3-yl)acetic acid

4.2 InChI

InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

4.3 InChIKey

SEOVTRFCIGRIMH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=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)