(5S,6R)-6-Acetyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 784999-23-1]

Identification

• Name: (5S,6R)-6-Acetyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5S,6R)-6-acetyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₉H₉NO₄S
• Molecular Weight: 227.24
• CAS Registry Number: 784999-23-1
• SMILES: CC1=C(N2[C@@H](S1)[C@@H](C2=O)C(=O)C)C(=O)O
• InChI: 1S/C9H9NO4S/c1-3(11)5-7(12)10-6(9(13)14)4(2)15-8(5)10/h5,8H,1-2H3,(H,13,14)/t5-,8+/m1/s1
• InChIKey: AIHHYODXVIUILT-XRGYYRRGSA-N

Properties

• Density: 1.58g/cm³ (Cal.)
• Boiling point: 501.044°C at 760 mmHg (Cal.)
• Flash point: 256.823°C (Cal.)
• Refractive index: 1.656 (Cal.)