Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5R72A0440N
EPA CompTox DTXSID10239228

Structure

InChI Key KJRRQXYWFQKJIP-UHFFFAOYSA-N
Smiles Cc1cocc1
InChI
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O1
Molecular Weight 82.04
AlogP 1.59
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 930-27-8
NORMAN SUSDAT
FDA SRS 5R72A0440N
PubChem 13587
ChemSpider 12998.0