Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HLS754O457
EPA CompTox DTXSID801336935

Structure

InChI Key VPVXHAANQNHFSF-UHFFFAOYSA-N
Smiles O=C1COCCO1
InChI
InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O3
Molecular Weight 102.03
AlogP -0.44
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3041-16-5
NORMAN SUSDAT
FDA SRS HLS754O457