2-(3,3-Dimethyl-1-butyn-1-yl)-5-pyrimidinecarboxylic acid
[CAS# 908247-39-2]

Identification

• Name: 2-(3,3-Dimethyl-1-butyn-1-yl)-5-pyrimidinecarboxylic acid
• Synonyms: 2-(3,3-dimethylbut-1-yn-1-yl)pyrimidine-5-carboxylic acid
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.23
• CAS Registry Number: 908247-39-2
• SMILES: CC(C)(C)C#Cc1ncc(cn1)C(=O)O
• InChI: 1S/C11H12N2O2/c1-11(2,3)5-4-9-12-6-8(7-13-9)10(14)15/h6-7H,1-3H3,(H,14,15)
• InChIKey: CYLVYPBEAIVLIO-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 393.783°C at 760 mmHg (Cal.)
• Flash point: 191.953°C (Cal.)
• Refractive index: 1.558 (Cal.)