P-TERT-BUTOXYBENZALDEHYDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10206399

Structure

InChI Key VWSFZYXXQDKXKQ-UHFFFAOYSA-N
Smiles CC(C)(C)Oc1ccc(C=O)cc1
InChI
InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O2
Molecular Weight 178.1
AlogP 2.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 57699-45-3
NORMAN SUSDAT
PubChem 93774
ChemSpider 83098.0
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