2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-DIMETHYL-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 18D1OR9CE1
EPA CompTox DTXSID0059669

Structure

InChI Key MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Smiles CC1=CC(=O)C(=CC1=O)C
InChI
InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O2
Molecular Weight 136.05
AlogP 1.03
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 137-18-8
NORMAN SUSDAT
FDA SRS 18D1OR9CE1
PubChem 8718
ChemSpider 8394.0
CONTENTS