Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7HAE9TKC0A
EPA CompTox DTXSID90326822

Structure

InChI Key FWIBCWKHNZBDLS-VKHMYHEASA-N
Smiles O[C@H]1CCOC1=O
InChI
InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O3
Molecular Weight 102.03
AlogP -0.71
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 52079-23-9
NORMAN SUSDAT
FDA SRS 7HAE9TKC0A