diacetone alcohol
(SWXVUIWOUIDPGS-UHFFFAOYSA-N)
Structure
- SMILES
- CC(=O)CC(O)(C)C
- Molecular Formula:
- C6H12O2
- Molecular Weight:
- 116.158
- Log P:
- 0.7364
- Hydrogen Bond Acceptor:
- 2
- Hydrogen Bond Donor:
- 1
- TPSA:
- 37.3
- CAS Number(s):
- 123-42-2
Synonym(s)
1.
diacetone alcohol
2.
4-hydroxy-4-methyl-2-pentanone
External Link(s)
| MeSH | C080344 |
| PubChem Compound | 31256 |
| ChEBI | 55381 |
| CHEMBL | CHEMBL3182048 |
| ZINC | 1648359 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chromosome Aberrations | 3045484 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.