(5S,6S)-3-Ethyl-6-hydroxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 776246-72-1]

Identification

• Name: (5S,6S)-3-Ethyl-6-hydroxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5S,6S)-3-ethyl-6-hydroxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₈H₉NO₄S
• Molecular Weight: 215.23
• CAS Registry Number: 776246-72-1
• SMILES: CCC1=C(N2[C@@H](S1)[C@H](C2=O)O)C(=O)O
• InChI: 1S/C8H9NO4S/c1-2-3-4(8(12)13)9-6(11)5(10)7(9)14-3/h5,7,10H,2H2,1H3,(H,12,13)/t5-,7-/m0/s1
• InChIKey: RFRWRBUITADRID-FSPLSTOPSA-N

Properties

• Density: 1.683g/cm³ (Cal.)
• Boiling point: 520.372°C at 760 mmHg (Cal.)
• Flash point: 268.512°C (Cal.)
• Refractive index: 1.703 (Cal.)