Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID90988287

Structure

InChI Key DBVUAFDZHKSZJH-UHFFFAOYSA-N
Smiles CC=C.O=C1OC(=O)C=C1
InChI
InChI=1S/C4H2O3.C3H6/c5-3-1-2-4(6)7-3;1-3-2/h1-2H;3H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8O3
Molecular Weight 140.05
AlogP 0.82
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 68609-36-9
NORMAN SUSDAT
PubChem 168413