(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid (CAS 80875-98-5) — formula C9H15NO2, molecular weight 169.22; category organic chemicals.
| CAS Number | 80875-98-5 |
|---|---|
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.22 |
| LogP | -1 |
| Category | Organic Chemicals |
(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid is a carbon-based organic compound with CAS registry number 80875-98-5 and molecular formula C9H15NO2 (molecular weight 169.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80875-98-5
Its molecular formula C9H15NO2 comprises 9 C, 15 H, 1 N, 2 O atoms.
Also known as: (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid · (2S,3aS,7aS)-八氢-1H-吲哚-2-羧酸
Category: organic chemicals
The CAS registry number of (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid is 80875-98-5.
Molecular formula C9H15NO2, molecular weight 169.22.
It is also registered under: (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-八氢-1H-吲哚-2-羧酸.
Category: Organic Chemicals.
Independent reference data for (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid (CAS 80875-98-5), compiled from public chemistry databases.
| CAS Registry Number | 80875-98-5 |
|---|---|
| PubChem CID | 3274680 |
| Molecular formula | C9H15NO2 |
| IUPAC name | 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid |
| Molecular Weight | 169.22 |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 169.110278721 |
| Monoisotopic Mass | 169.110278721 |
| Topological Polar Surface Area | 49.3 |
| Heavy Atom Count | 12 |
Octahydroindole-2-Carboxylic Acid; RefChem:928114; octahydro-1H-indole-2-carboxylic acid; 82717-40-6; 80828-13-3; Octahydro-indole-2-carboxylic acid; L-Octahydroindole-2-carboxylic acid; 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic Acid; MFCD00171406; 108507-42-2; (2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid; D-Octahydroindole-2-carboxylic acid; 1H-Indole-2-carboxylicacid,octahydro-(9CI); rel-(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid; SCHEMBL44497; 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-
(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid · CAS 80875-98-5 · C9H15NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.