Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID40948578

Structure

InChI Key SQNNHEYXAJPPKH-UHFFFAOYSA-N
Smiles ClC=C.OC(=O)C=C
InChI
InChI=1S/C3H4O2.C2H3Cl/c1-2-3(4)5;1-2-3/h2H,1H2,(H,4,5);2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7ClO2
Molecular Weight 134.01
AlogP 1.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 25702-80-1
NORMAN SUSDAT
PubChem 3080734