(3-Nitro-1H-Pyrrol-1-Yl)Acetic Acid
[CAS# 250647-52-0]

Identification

• Name: (3-Nitro-1H-Pyrrol-1-Yl)Acetic Acid
• Synonyms: 1H-PYRROLE-1-ACETICACID, 3-NITRO-; 1H-Pyrrole-1-aceticacid,3-nitro-; 2-(3-nitro-1H-pyrrol-1-yl)acetic acid
• Molecular Formula: C₆H₆N₂O₄
• Molecular Weight: 170.12
• CAS Registry Number: 250647-52-0
• SMILES: c1cn(cc1[N+](=O)[O-])CC(=O)O
• InChI: 1S/C6H6N2O4/c9-6(10)4-7-2-1-5(3-7)8(11)12/h1-3H,4H2,(H,9,10)
• InChIKey: XJUCVTLZVPFTKX-UHFFFAOYSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 382.776°C at 760 mmHg (Cal.)
• Flash point: 185.297°C (Cal.)
• Refractive index: 1.617 (Cal.)