3-{2-[(E)-2-Nitrovinyl]-1H-Pyrrol-1-Yl}Benzoic Acid
[CAS# 597545-01-2]

Identification

• Name: 3-{2-[(E)-2-Nitrovinyl]-1H-Pyrrol-1-Yl}Benzoic Acid
• Synonyms: (E)-3-(2-(2-nitrovinyl)-1H-pyrrol-1-yl)benzoic acid; 3-{2-[(E)-2-nitroethenyl]-1H-pyrrol-1-yl}benzoic acid
• Molecular Formula: C₁₃H₁₀N₂O₄
• Molecular Weight: 258.23
• CAS Registry Number: 597545-01-2
• SMILES: C1=CC(=CC(=C1)N2C=CC=C2/C=C/[N+](=O)[O-])C(=O)O
• InChI: 1S/C13H10N2O4/c16-13(17)10-3-1-4-12(9-10)14-7-2-5-11(14)6-8-15(18)19/h1-9H,(H,16,17)/b8-6+
• InChIKey: CYNCWVWKWZDOOE-SOFGYWHQSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 504.1±35.0°C at 760 mmHg (Cal.)
• Flash point: 258.7±25.9°C (Cal.)
• Refractive index: 1.62 (Cal.)