Keyword(s): | Food Contact Chemicals ; Human Metabolites |
Molecule Category | Free-form |
UNII | C42E28168L |
EPA CompTox | DTXSID9021635 |
InChI Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C4H8O1 | |
Molecular Weight | 72.06 | |
AlogP | 0.84 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 1.0 | |
Polar Surface Area | 17.07 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 5.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 78-84-2 | |
NORMAN SUSDAT | ||
FDA SRS | C42E28168L | |
PubChem | 6561 | |
ChemSpider | 6313.0 |