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

Structure

InChI Key LTVUCOSIZFEASK-JTGULSINSA-N
Smiles C[C@@]12[C@@H]3C[C@@H](C=C3)[C@@H]1C(=O)OC2=O
InChI
InChI=1S/C10H10O3/c1-10-6-3-2-5(4-6)7(10)8(11)13-9(10)12/h2-3,5-7H,4H2,1H3/t5-,6+,7-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O3
Molecular Weight 178.06
AlogP 0.9
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 53584-57-9
NORMAN SUSDAT