Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6IJ7CBC3R7
EPA CompTox DTXSID30173392

Structure

InChI Key HWNIMFWVBMOWHI-UHFFFAOYSA-N
Smiles C=CC(=O)OCCN1CCOCC1
InChI
InChI=1S/C9H15NO3/c1-2-9(11)13-8-5-10-3-6-12-7-4-10/h2H,1,3-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N1O3
Molecular Weight 185.11
AlogP 0.05
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 38.77
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 19727-38-9
NORMAN SUSDAT
FDA SRS 6IJ7CBC3R7
PubChem 88216
ChemSpider 68820.0