Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MX2VX9MH4T
EPA CompTox DTXSID4060602

Structure

InChI Key IMNDHOCGZLYMRO-UHFFFAOYSA-N
Smiles CN(C)C(=O)c1ccccc1
InChI
InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1O1
Molecular Weight 149.08
AlogP 1.39
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 611-74-5
NORMAN SUSDAT
FDA SRS MX2VX9MH4T
PubChem 11916
ChemSpider 11422.0