Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 384Q41M534
EPA CompTox DTXSID4040711

Structure

InChI Key SOUAXOGPALPTTC-UHFFFAOYSA-N
Smiles CCOC(=O)c1c(C)cccc1
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O2
Molecular Weight 164.08
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 87-24-1
NORMAN SUSDAT
FDA SRS 384Q41M534
PubChem 66598
ChemSpider 59966.0