Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
InChI Key | CCFAGRVEHSCROQ-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C9H12O3 | |
Molecular Weight | 168.08 | |
AlogP | 0.07 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 60.69 | |
Molecular species | None | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 12.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 16354-95-3 | |
NORMAN SUSDAT |