| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M2Y6E4N2TS |
| EPA CompTox | DTXSID6060769 |
Structure
| InChI Key | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6O2 |
| Molecular Weight | 134.04 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 623-27-8 |
| NORMAN SUSDAT | |
| FDA SRS | M2Y6E4N2TS |
| PubChem | 12173 |
| ChemSpider | 11255.0 |
CONTENTS
