Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C2NR6F929X
EPA CompTox DTXSID90208098

Structure

InChI Key MBUIVAAHRBEDCW-UHFFFAOYSA-N
Smiles C=CC1OCCCO1
InChI
InChI=1S/C6H10O2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 0.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5935-25-1
NORMAN SUSDAT
FDA SRS C2NR6F929X
PubChem 80043
ChemSpider 72295.0