(5S,6S)-6-Methyl-3-(2-methyl-2-propanyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 781584-92-7]

Identification

• Name: (5S,6S)-6-Methyl-3-(2-methyl-2-propanyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5S,6S)-3-(tert-butyl)-6-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.24
• CAS Registry Number: 781584-92-7
• SMILES: C[C@H]1[C@H]2N(C1=O)C(=C(O2)C(C)(C)C)C(=O)O
• InChI: 1S/C11H15NO4/c1-5-8(13)12-6(10(14)15)7(11(2,3)4)16-9(5)12/h5,9H,1-4H3,(H,14,15)/t5-,9+/m1/s1
• InChIKey: AVAYNGCBHMWJDC-ANLVUFKYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 392.476°C at 760 mmHg (Cal.)
• Flash point: 191.163°C (Cal.)
• Refractive index: 1.561 (Cal.)