Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8T59P1Q6NO
EPA CompTox DTXSID1067128

Structure

InChI Key PIAOXUVIBAKVSP-UHFFFAOYSA-N
Smiles OCCCC=O
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O2
Molecular Weight 88.05
AlogP -0.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 25714-71-0
NORMAN SUSDAT
FDA SRS 8T59P1Q6NO
PubChem 93093
ChemSpider 84042.0