3,5-bis(hydroxymethyl)benzenecarbonitrile

Systemtic Name: 3,5-bis(hydroxymethyl)benzenecarbonitrile Openeye Name: 3,5-bis(hydroxymethyl)benzonitrile CAS Name: 3,5-bis(hydroxymethyl)benzonitrile IUPAC Name: 3,5-bis(hydroxymethyl)benzonitrile Traditional Name: 3,5-dimethylolbenzonitrile Formula: C9H9NO2 MolecularWeight: 163.17326

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1CO)C#N)CO

Isomeric SMILES

C1=C(C=C(C=C1CO)C#N)CO

InChI

InChI=1S/C9H9NO2/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,11-12H,5-6H2