Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MTB57102LQ
EPA CompTox DTXSID9047417

Structure

InChI Key DLVYTANECMRFGX-UHFFFAOYSA-N
Smiles CC1=C(O)C(=O)CO1
InChI
InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O3
Molecular Weight 114.03
AlogP 0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 19322-27-1
NORMAN SUSDAT
FDA SRS MTB57102LQ
PubChem 4564493
ChemSpider 3757733.0