Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I081SP102B
EPA CompTox DTXSID1034268

Structure

InChI Key AYMWCZFEDLLHMI-UHFFFAOYSA-N
Smiles O=C1CC2CCCCC2CO1
InChI
InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14O2
Molecular Weight 154.1
AlogP 1.74
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 21962-62-9
NORMAN SUSDAT
FDA SRS I081SP102B