2,3,3-trimethyl-3H-indole-5-carboxylic acid (CAS 84100-84-5) — formula C12H13NO2, molecular weight 203.24; category organic chemicals.
| CAS Number | 84100-84-5 |
|---|---|
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.24 |
| LogP | 1.8 |
| Category | Organic Chemicals |
2,3,3-trimethyl-3H-indole-5-carboxylic acid is a carbon-based organic compound with CAS registry number 84100-84-5 and molecular formula C12H13NO2 (molecular weight 203.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84100-84-5
Its molecular formula C12H13NO2 comprises 12 C, 13 H, 1 N, 2 O atoms.
Also known as: 2,3,3-trimethyl-3H-indole-5-carboxylic acid · 2,3,3-三甲基-3H-吲哚-5-羧酸
Category: organic chemicals
The CAS registry number of 2,3,3-trimethyl-3H-indole-5-carboxylic acid is 84100-84-5.
Molecular formula C12H13NO2, molecular weight 203.24.
It is also registered under: 2,3,3-trimethyl-3H-indole-5-carboxylic acid, 2,3,3-三甲基-3H-吲哚-5-羧酸.
Category: Organic Chemicals.
Independent reference data for 2,3,3-trimethyl-3H-indole-5-carboxylic acid (CAS 84100-84-5), compiled from public chemistry databases.
| CAS 号 | 84100-84-5 |
|---|---|
| PubChem CID | 3019696 |
| 分子式 | C12H13NO2 |
| IUPAC 名称 | 2,3,3-trimethylindole-5-carboxylic acid |
| UNII（FDA） | VUN3VA4S9P |
| Molecular Weight | 203.24 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 203.094628657 |
| Monoisotopic Mass | 203.094628657 |
| Topological Polar Surface Area | 49.7 |
| Heavy Atom Count | 15 |
2,3,3-Trimethyl-3H-indole-5-carboxylic acid; 84100-84-5; EINECS 282-162-4; DTXSID50232995; RefChem:81191; DTXCID80155486; 282-162-4; 2,3,3-trimethylindole-5-carboxylic acid; 2,3,3-trimethyl-5-carboxyindolenine; MFCD01099739; 2,3,3-trimethyl-3H-indole-5-carboxylicacid; 3H-Indole-5-carboxylicacid, 2,3,3-trimethyl-; 3H-Indole-5-carboxylic acid, 2,3,3-trimethyl-; 5-Carboxy-2,3,3-trimethyl-3H-indole; 2,3,3-Trimethylindolenine-5-carboxylic acid; VUN3VA4S9P
| GHS 通报统计 | 66.7% (4 / 6) |
|---|
| GHS 通报统计 | 66.7% (4 / 6) |
|---|---|
| 已通报的危害声明 | H302 (33.3%), H315 (33.3%), H319 (33.3%), H335 (33.3%) |
2,3,3-三甲基-3H-吲哚-5-羧酸 · CAS 84100-84-5 · C12H13NO2. UNII VUN3VA4S9P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2,3,3-三甲基-3H-吲哚-5-羧酸