2-(5-Nitrothiophen-3-Yl)Propanedioic Acid
[CAS# 104554-66-7]

Identification

• Name: 2-(5-Nitrothiophen-3-Yl)Propanedioic Acid
• Synonyms: 2-(5-Nitro-3-Thienyl)Propanedioic Acid; 2-(5-Nitro-3-Thienyl)Malonic Acid; 5-Nitro-3-Thiophemalonic Acid
• Molecular Formula: C₇H₅NO₆S
• Molecular Weight: 231.18
• CAS Registry Number: 104554-66-7
• SMILES: C1=C(C(C(=O)O)C(=O)O)C=C(S1)[N+]([O-])=O
• InChI: 1S/C7H5NO6S/c9-6(10)5(7(11)12)3-1-4(8(13)14)15-2-3/h1-2,5H,(H,9,10)(H,11,12)
• InChIKey: JDLQLJDEOAKSCD-UHFFFAOYSA-N

Properties

• Density: 1.777g/cm³ (Cal.)
• Boiling point: 477.956°C at 760 mmHg (Cal.)
• Flash point: 242.859°C (Cal.)