Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0XUR2L45V9
EPA CompTox DTXSID30984309

Structure

InChI Key JSJKAEKKWQOCEZ-UHFFFAOYSA-N
Smiles CC1C2=C(C=C(C=C2)C)OC1=O
InChI
InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2
Molecular Weight 162.07
AlogP 2.02
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 65817-24-5
NORMAN SUSDAT
FDA SRS 0XUR2L45V9