Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID601014777

Structure

InChI Key NHXVNEDMKGDNPR-UHFFFAOYSA-N
Smiles [Zn++].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
InChI
InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O4Zn
Molecular Weight 262.02
AlogP 0.73
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 68.28
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 14024-63-6
NORMAN SUSDAT
PubChem 53384627