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

Structure

InChI Key RTVRNOZYRASYKB-UHFFFAOYSA-N
Smiles CCCCCCCOCC(=O)CO
InChI
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-13-9-10(12)8-11/h11H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O3
Molecular Weight 188.14
AlogP 1.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 46.53
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 72854-42-3
NORMAN SUSDAT