Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G2MA4KIQ1B
EPA CompTox DTXSID6060973

Structure

InChI Key IXYLIUKQQQXXON-UHFFFAOYSA-N
Smiles CC1=CC(=CC(=O)O1)C
InChI
InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8O2
Molecular Weight 124.05
AlogP 1.26
Hydrogen Bond Acceptor 2.0
Polar Surface Area 30.21
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 675-09-2
NORMAN SUSDAT
FDA SRS G2MA4KIQ1B
PubChem 12662
ChemSpider 12141.0