6-(Methyoxymethylene)Penicillanic Acid
[CAS# 93040-42-7]

Identification

• Name: 6-(Methyoxymethylene)Penicillanic Acid
• Synonyms: (2S,5R,6Z)-6-(Methoxymethylene)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6Z)-7-Keto-6-(Methoxymethylene)-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 6-(Methyoxymethylene)Penicillanic Acid
• Molecular Formula: C₁₀H₁₃NO₄S
• Molecular Weight: 243.28
• CAS Registry Number: 93040-42-7
• SMILES: [C@H]1\2SC([C@@H](N1C(=O)C2=C/OC)C(=O)O)(C)C
• InChI: 1S/C10H13NO4S/c1-10(2)6(9(13)14)11-7(12)5(4-15-3)8(11)16-10/h4,6,8H,1-3H3,(H,13,14)/b5-4-/t6-,8+/m0/s1
• InChIKey: PRRZHIROMDJJKW-RVLTZIEQSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 491.868°C at 760 mmHg (Cal.)
• Flash point: 251.273°C (Cal.)