Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2MIC4QLY2X
EPA CompTox DTXSID4073259

Structure

InChI Key WAPNOHKVXSQRPX-ZETCQYMHSA-N
Smiles C[C@H](O)C1=CC=CC=C1
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O
Molecular Weight 122.07
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1445-91-6
NORMAN SUSDAT
FDA SRS 2MIC4QLY2X