Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6UK3D2BXJT
EPA CompTox DTXSID1044433

Structure

InChI Key HJSLFCCWAKVHIW-UHFFFAOYSA-N
Smiles O=C1CCCC(=O)C1
InChI
InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O2
Molecular Weight 112.05
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 504-02-9
NORMAN SUSDAT
FDA SRS 6UK3D2BXJT
PubChem 10434
ChemSpider 10004.0