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

Structure

InChI Key JMAUXGPDSZGZAJ-WDSKDSINSA-N
Smiles OCC1OC(OC1)C=C
InChI
InChI=1/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP -0.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.69
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16081-27-9
NORMAN SUSDAT
PubChem 21116083