(3-METHOXY-1-PROPENYL)BENZENE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z2K3K8SE9V
EPA CompTox DTXSID10101938

Structure

InChI Key XOURNDFHPYLQDJ-UHFFFAOYSA-N
Smiles O(C)CC=CC=1C=CC=CC1
InChI
InChI=1/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O
Molecular Weight 148.09
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 22688-03-5
NORMAN SUSDAT
FDA SRS Z2K3K8SE9V
PubChem 27791
CONTENTS