4-Cyano-1,3-cyclohexadiene-1-carboxylic acid
[CAS# 72422-72-1]

Identification

• Name: 4-Cyano-1,3-cyclohexadiene-1-carboxylic acid
• Synonyms: 4-cyanocyclohexa-1,3-dienecarboxylic acid
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• CAS Registry Number: 72422-72-1
• SMILES: C1CC(=CC=C1C#N)C(=O)O
• InChI: 1S/C8H7NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1,3H,2,4H2,(H,10,11)
• InChIKey: FIMYTAMJFMGJAD-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 322.688°C at 760 mmHg (Cal.)
• Flash point: 148.957°C (Cal.)