Structure

InChI Key ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Smiles CN1C(=O)c2c(cccc2)C1=O
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7N1O2
Molecular Weight 161.05
AlogP 0.91
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 550-44-7
NORMAN SUSDAT
FDA SRS 647UP45J2U
PubChem 11074
ChemSpider 10603.0