Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6G5QBA6SSS
EPA CompTox DTXSID00167501

Structure

InChI Key PQGPYWUIWWYUGU-UHFFFAOYSA-N
Smiles CC1=CCOCC1
InChI
InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h2H,3-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O1
Molecular Weight 98.07
AlogP 1.35
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 16302-35-5
NORMAN SUSDAT
FDA SRS 6G5QBA6SSS
PubChem 85360
ChemSpider 76984.0