3-[1,2-bis(oxidanyl)propyl]benzenecarbonitrile

Systemtic Name: 3-[1,2-bis(oxidanyl)propyl]benzenecarbonitrile Openeye Name: 3-(1,2-dihydroxypropyl)benzonitrile CAS Name: 3-(1,2-dihydroxypropyl)benzonitrile IUPAC Name: 3-(1,2-dihydroxypropyl)benzonitrile Traditional Name: 3-(1,2-dihydroxypropyl)benzonitrile Formula: C10H11NO2 MolecularWeight: 177.19984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO2/c1-7(12)10(13)9-4-2-3-8(5-9)6-11/h2-5,7,10,12-13H,1H3