(±)-BORNYL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7041675

Structure

InChI Key KGEKLUUHTZCSIP-QJUVKGSQNA-N
Smiles CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C
InChI
InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/s2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20O2
Molecular Weight 196.15
AlogP 2.76
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 76-49-3
NORMAN SUSDAT
CONTENTS