2,4-DIMETHYLHEXANOIC ACID

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

Structure

InChI Key GMWSHXONQKXRHS-UHFFFAOYSA-N
Smiles O=C(O)C(C)CC(C)CC
InChI
InChI=1/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.12
AlogP 2.14
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 70621-82-8
NORMAN SUSDAT
PubChem 39177
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