Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UQU7C4XEV7

Structure

InChI Key FHWBTAQRRDZDIY-UHFFFAOYSA-N
Smiles O=C(OC)CC(O)CCCCC
InChI
InChI=1/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18O3
Molecular Weight 174.13
AlogP 1.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.53
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 7367-87-5
NORMAN SUSDAT
FDA SRS UQU7C4XEV7
PubChem 110974