Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z833FH4K85
EPA CompTox DTXSID9074698

Structure

InChI Key BFMKFCLXZSUVPI-UHFFFAOYSA-N
Smiles CCOC(=O)CC=C
InChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 1.13
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1617-18-1
NORMAN SUSDAT
FDA SRS Z833FH4K85
PubChem 74172
ChemSpider 66782.0