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1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid

1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name:1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid
Openeye Name:1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid
CAS Name:1-(cyanomethyl)-1-cyclohexa-2,5-dienecarboxylic acid
IUPAC Name:1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid
Traditional Name:1-(cyanomethyl)cyclohexa-2,5-diene-1-carboxylic acid
Formula: C9H9NO2
MolecularWeight: 163.17326
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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1)(CC#N)C(=O)O


Isomeric SMILES

C1C=CC(C=C1)(CC#N)C(=O)O


InChI

InChI=1S/C9H9NO2/c10-7-6-9(8(11)12)4-2-1-3-5-9/h2-5H,1,6H2,(H,11,12)


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