(1S,5S,8aS)-1-Ethyl-3-oxo-1,5,8,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridine-5-carboxylic acid
[CAS# 816453-12-0]

Identification

• Name: (1S,5S,8aS)-1-Ethyl-3-oxo-1,5,8,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridine-5-carboxylic acid
• Synonyms: (1S,5S,8aS)-1-ethyl-3-oxo-3,5,8,8a-tetrahydro-1H-oxazolo[3,4-a]pyridine-5-carboxylic acid
• Molecular Formula: C₁₀H₁₃NO₄
• Molecular Weight: 211.21
• CAS Registry Number: 816453-12-0
• SMILES: CC[C@H]1[C@@H]2CC=C[C@H](N2C(=O)O1)C(=O)O
• InChI: 1S/C10H13NO4/c1-2-8-6-4-3-5-7(9(12)13)11(6)10(14)15-8/h3,5-8H,2,4H2,1H3,(H,12,13)/t6-,7-,8-/m0/s1
• InChIKey: RQTMIAHGTMNKIW-FXQIFTODSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 465.676°C at 760 mmHg (Cal.)
• Flash point: 235.432°C (Cal.)
• Refractive index: 1.573 (Cal.)