| Keyword(s): | Natural Toxins |
| Molecule Category | Free-form |
| UNII | 46YA021ENM |
| EPA CompTox | DTXSID40201256 |
Structure
| InChI Key | OPUFDNZTKHPZHM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.08 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 50.44 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 532-48-9 |
| NORMAN SUSDAT | |
| FDA SRS | 46YA021ENM |
| PubChem | 119039 |
| ChemSpider | 106366.0 |
CONTENTS
