(5S)-5-Ethyl-5-Hydroxy-1,4,5,8-Tetrahydrooxepino[3,4-c]Pyridine-3,9-Dione
[CAS# 387862-46-6]

Identification

• Name: (5S)-5-Ethyl-5-Hydroxy-1,4,5,8-Tetrahydrooxepino[3,4-c]Pyridine-3,9-Dione
• Synonyms: (S)-5-ethyl-5-hydroxy-4,5-dihydrooxepino[3,4-c]pyridine-3,9(1H,8H)-dione
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• CAS Registry Number: 387862-46-6
• SMILES: CC[C@@]1(CC(=O)OCc2c1cc[nH]c2=O)O
• InChI: 1S/C11H13NO4/c1-2-11(15)5-9(13)16-6-7-8(11)3-4-12-10(7)14/h3-4,15H,2,5-6H2,1H3,(H,12,14)/t11-/m0/s1
• InChIKey: RVBWWMADTISCJE-NSHDSACASA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 607.893°C at 760 mmHg (Cal.)
• Flash point: 321.442°C (Cal.)
• Refractive index: 1.585 (Cal.)