Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20908458

Structure

InChI Key MUUOUUYKIVSIAR-UHFFFAOYSA-N
Smiles O1CC1CCC=C
InChI
InChI=1/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O
Molecular Weight 98.07
AlogP 1.35
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 10353-53-4
NORMAN SUSDAT
PubChem 66314