(1R,4S)-ISODIHYDROCARVONE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID50332060

Structure

InChI Key AZOCECCLWFDTAP-BDAKNGLRSA-N
Smiles C[C@@H]1CC[C@@H](CC1=O)C(C)=C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 53796-79-5
NORMAN SUSDAT
PubChem 443181
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