4-Amino-5-Cyano-1-Hydroxy-2-Methyl-2,4-Cyclohexadiene-1-Carboxylic Acid
[CAS# 177913-37-0]

Identification

• Name: 4-Amino-5-Cyano-1-Hydroxy-2-Methyl-2,4-Cyclohexadiene-1-Carboxylic Acid
• Synonyms: 4-amino-5-cyano-1-hydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• CAS Registry Number: 177913-37-0
• SMILES: CC1=CC(=C(CC1(C(=O)O)O)C#N)N
• InChI: 1S/C9H10N2O3/c1-5-2-7(11)6(4-10)3-9(5,14)8(12)13/h2,14H,3,11H2,1H3,(H,12,13)
• InChIKey: LMHRAOJLXQPNLE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 556.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 290.2±30.1°C (Cal.)
• Refractive index: 1.621 (Cal.)