Structure

InChI Key SERHXTVXHNVDKA-BYPYZUCNSA-N
Smiles CC1(C)COC(=O)[C@@H]1O
InChI
InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP -0.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 599-04-2
NORMAN SUSDAT
FDA SRS J288D7O0JS
PubChem 439368
ChemSpider 388488.0