TRANS-(±)-2,4-DIMETHYL-2-PHENYL-1,3-DIOXOLANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30885307

Structure

InChI Key CIHKNVXTQCYONS-UHFFFAOYSA-N
Smiles O1CC(OC1(C=2C=CC=CC2)C)C
InChI
InChI=1/C11H14O2/c1-9-8-12-11(2,13-9)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O2
Molecular Weight 178.1
AlogP 2.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 18.46
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 25687-72-3
NORMAN SUSDAT
PubChem 221640
CONTENTS