| Keyword(s): | Industrial Chemicals |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80431090 |
Structure
| InChI Key | XYMPPRJBUSAOQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.07 |
| AlogP | 1.93 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 97.99 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15485-65-1 |
| NORMAN SUSDAT |
CONTENTS
