Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 87MK2KA66T
EPA CompTox DTXSID9025613

Structure

InChI Key LKMJVFRMDSNFRT-UHFFFAOYNA-N
Smiles COCC1CO1
InChI
InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O2
Molecular Weight 88.05
AlogP 0.03
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 21.76
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 930-37-0
NORMAN SUSDAT
FDA SRS 87MK2KA66T
ChemSpider 13000.0