1,3-BENZODIOXOLE, 5-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 27N5CS5GH7
EPA CompTox DTXSID90221641

Structure

InChI Key GHPODDMCSOYWNE-UHFFFAOYSA-N
Smiles Cc1cc2c(OCO2)cc1
InChI
InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O2
Molecular Weight 136.05
AlogP 1.72
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 7145-99-5
NORMAN SUSDAT
FDA SRS 27N5CS5GH7
PubChem 81564
ChemSpider 73594.0
CONTENTS