823225-86-1
823225-86-1 structure
- Name: 8-(cyanomethyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
- Chemical Name: 8-(cyanomethyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
- CAS Number: 823225-86-1
- Molecular Formula: C12H11NO4
- Molecular Weight: 233.22000
- Create Date: 2016-03-08 13:22:40
- Modify Date: 2025-08-26 00:38:26
| Name | 8-(cyanomethyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid |
|---|---|
| Synonyms | 2H-1,5-Benzodioxepin-6-carboxylic acid,8-(cyanomethyl)-3,4-dihydro |
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.22000 |
| Exact Mass | 233.06900 |
| PSA | 79.55000 |
| LogP | 1.61218 |
|
~%
823225-86-1 |
| Literature: JANSSEN PHARMACEUTICA N.V. Patent: WO2005/838 A1, 2005 ; Location in patent: Page 30 ; WO 2005/000838 A1 |
| Precursor 1 | |
|---|---|
| DownStream 0 | |