Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key BGLUXFNVVSVEET-UHFFFAOYSA-N
Smiles O=C1OC(C=C1)C
InChI
InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O2
Molecular Weight 98.04
AlogP 0.49
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 591-11-7
NORMAN SUSDAT
PubChem 11558