Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70859289

Structure

InChI Key UNXHWFMMPAWVPI-UHFFFAOYSA-N
Smiles OCC(O)C(O)CO
InChI
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O4
Molecular Weight 122.06
AlogP -2.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 80.92
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 7541-59-5
NORMAN SUSDAT
PubChem 8998
ChemSpider 13835932.0