| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | K2CIJ448IX |
| EPA CompTox | DTXSID4022523 |
Structure
| InChI Key | ZTJORNVITHUQJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1085-12-7 |
| NORMAN SUSDAT | |
| FDA SRS | K2CIJ448IX |
| PubChem | 14138 |
| ChemSpider | 13515.0 |
CONTENTS
