1,6-DIHYDRO-4-HYDROXY-2-METHYL-6-OXONICOTINONITRILE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80982678

Structure

InChI Key OLTATMRIIFNCTG-UHFFFAOYSA-N
Smiles N#CC=1C(O)=CC(=O)NC1C
InChI
InChI=1/C7H6N2O2/c1-4-5(3-8)6(10)2-7(11)9-4/h2H,1H3,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6N2O2
Molecular Weight 150.04
AlogP 0.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 76.88
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 64169-92-2
NORMAN SUSDAT
CONTENTS