4-METHYL-2-STYRYL-1,3-DIOXOLANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S69HZU774Z
EPA CompTox DTXSID40863373

Structure

InChI Key MQLAQZSLFAOEAK-BQYQJAHWSA-N
Smiles O1CC(OC1C=CC=2C=CC=CC2)C
InChI
InChI=1/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14O2
Molecular Weight 190.1
AlogP 2.46
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 4353-01-9
NORMAN SUSDAT
FDA SRS S69HZU774Z
PubChem 6017272
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