3-Indoleacetic Acid (CAS 87-51-4) — formula C10H9NO2, molecular weight 175.18; category organic chemicals.
3-Indoleacetic Acid is a carbon-based organic compound with CAS registry number 87-51-4 and molecular formula C10H9NO2 (molecular weight 175.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87-51-4
Its molecular formula C10H9NO2 comprises 10 C, 9 H, 1 N, 2 O atoms.
Also known as: 3-Indoleacetic Acid · 1H-Indole-3-acetic acid
Category: organic chemicals
The CAS registry number of 3-Indoleacetic Acid is 87-51-4.
Molecular formula C10H9NO2, molecular weight 175.18.
It is also registered under: 3-Indoleacetic Acid, 1H-Indole-3-acetic acid.
Category: Organic Chemicals.
Public-database records for 3-Indoleacetic Acid (CAS 87-51-4), reproduced here for independent cross-checking.
| GHS notification summary | 8.9% (5 / 56) |
|---|---|
| Reported hazard statements | H302 (58.9%), H315 (91.1%), H319 (91.1%), H335 (85.7%) |
This chemical does not meet GHS hazard criteria for 8.9% (5 of 56) of reports.
H302 (58.9%): Harmful if swallowed [Warning Acute toxicity, oral]
| GHS notification summary | 8.9% (5 / 56) |
|---|
| 熔点 | 168.5 °C |
|---|---|
| 溶解度 | 1.5 mg/mL |
| 蒸气压 | 0.00000526 [mmHg] |
| LogP | 1.41 |
| Collision Cross Section | 143.6 Ų [M+Na]+ |
| Collision Cross Section | 136.4 Ų [M+H]+ |
| CAS Registry Number | 87-51-4 |
|---|---|
| PubChem CID | 802 |
| 分子式 | C10H9NO2 |
| IUPAC 名称 | 2-(1H-indol-3-yl)acetic acid |
| UNII(FDA) | 6U1S09C61L |
indole-3-acetic acid; 87-51-4; 3-Indoleacetic acid; indoleacetic acid; Heteroauxin; 1H-Indole-3-acetic acid; 2-(1H-Indol-3-yl)acetic acid; 1H-indol-3-ylacetic acid; Rhizopin; Rhizopon A; 3-Indolylacetic acid; 3-Iaa; 3-(Carboxymethyl)indole; beta-Indoleacetic acid; beta-Indolylacetic acid; Indolyl-3-acetic acid
| 分子量 | 175.18 |
|---|---|
| XLogP3 | 1.4 |
| 氢键供体数 | 2 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 175.063328530 |
| 单同位素质量 | 175.063328530 |
| 拓扑极性表面积 | 53.1 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
3-Indoleacetic Acid · CAS 87-51-4 · C10H9NO2. UNII 6U1S09C61L. 熔点: 168.5 °C; 溶解度: 1.5 mg/mL; 蒸气压: 0.00000526 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
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