3-Methyl-2-[2-(2-Methyl-2-Propanyl)-5-Pyrimidinyl]-2-Butenoic Acid
[CAS# 122936-62-3]

Identification

• Name: 3-Methyl-2-[2-(2-Methyl-2-Propanyl)-5-Pyrimidinyl]-2-Butenoic Acid
• Synonyms: 2-(2-(tert-butyl)pyrimidin-5-yl)-3-methylbut-2-enoic acid
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.29
• CAS Registry Number: 122936-62-3
• SMILES: CC(C)(C)c1ncc(cn1)\C(=C(\C)C)C(O)=O
• InChI: 1S/C13H18N2O2/c1-8(2)10(11(16)17)9-6-14-12(15-7-9)13(3,4)5/h6-7H,1-5H3,(H,16,17)
• InChIKey: GCJXWQHTWPYJQP-UHFFFAOYSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 341.204°C at 760 mmHg (Cal.)
• Flash point: 160.155°C (Cal.)
• Refractive index: 1.528 (Cal.)