Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A5RRM67QUG
EPA CompTox DTXSID8063250

Structure

InChI Key BIAAQBNMRITRDV-UHFFFAOYSA-N
Smiles COCCOCCl
InChI
InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9Cl1O2
Molecular Weight 124.03
AlogP 0.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3970-21-6
NORMAN SUSDAT
FDA SRS A5RRM67QUG
PubChem 77590
ChemSpider 69995.0