1,3,5-Trihydroxy-2,4-Cyclohexadiene-1-Carbonitrile
[CAS# 420121-07-9]

Identification

• Name: 1,3,5-Trihydroxy-2,4-Cyclohexadiene-1-Carbonitrile
• Synonyms: 1,3,5-trihydroxycyclohexa-2,4-dienecarbonitrile
• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.14
• CAS Registry Number: 420121-07-9
• SMILES: C1C(=CC(=CC1(C#N)O)O)O
• InChI: 1S/C7H7NO3/c8-4-7(11)2-5(9)1-6(10)3-7/h1-2,9-11H,3H2
• InChIKey: WKEVYESVHDSSQS-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 493.159°C at 760 mmHg (Cal.)
• Flash point: 252.054°C (Cal.)
• Refractive index: 1.653 (Cal.)