Structure

InChI Key KNDQHSIWLOJIGP-UHFFFAOYNA-N
Smiles O=C1OC(=O)C2C3CC(C=C3)C12
InChI
InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6-,7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8O3
Molecular Weight 164.05
AlogP 0.51
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 129-64-6
NORMAN SUSDAT
FDA SRS M4UGH0927Z
ChemSpider 12668.0