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

Structure

InChI Key VFZDNKRDYPTSTP-TYICEKJOSA-N
Smiles CC1(C)C2CC[C@@]1(C)C(=O)OC2=O
InChI
InChI=1/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O3
Molecular Weight 182.09
AlogP 1.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 595-29-9
NORMAN SUSDAT