N-O-TOLYLFORMAMIDE, POTASSIUM SALT

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key DXPIKYJUSPXSDR-UHFFFAOYSA-N
Smiles [K+].Cc1ccccc1NC=O
InChI
InChI=1/C8H9NO.K/c1-7-4-2-3-5-8(7)9-6-10;/h2-6H,1H3,(H,9,10);/q;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9KNO
Molecular Weight 174.03
AlogP -0.78
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.59
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3215-30-3
NORMAN SUSDAT
CONTENTS