[1,1'-BIPHENYL]-4-CARBONITRILE, 4'-METHOXY-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2069286

Structure

InChI Key RINYLKSNGRLNCU-UHFFFAOYSA-N
Smiles COc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11N1O1
Molecular Weight 209.08
AlogP 3.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 33.02
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 58743-77-4
NORMAN SUSDAT
PubChem 93892
ChemSpider 84744.0
CONTENTS