Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 661X270Z3L

Structure

InChI Key JYVXNLLUYHCIIH-UHFFFAOYSA-N
Smiles O=C1OCCC(O)(C)C1
InChI
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP 0.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 19115-49-2
NORMAN SUSDAT
FDA SRS 661X270Z3L
PubChem 10428
ChemSpider 9999.0