4-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzenecarboxylic Acid
[CAS# 52034-38-5]

Identification

• Name: 4-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzenecarboxylic Acid
• Synonyms: 4-(3-Formyl-2,5-Dimethyl-Pyrrol-1-Yl)Benzoate; 4-(3-Formyl-2,5-Dimethyl-1-Pyrrolyl)Benzoate; 4-(3-Methanoyl-2,5-Dimethyl-Pyrrol-1-Yl)Benzoate
• Molecular Formula: C₁₄H₁₂NO₃
• Molecular Weight: 242.25
• CAS Registry Number: 52034-38-5
• SMILES: C1=C(C)[N](C(=C1C=O)C)C2=CC=C(C=C2)C(=O)[O-]
• InChI: 1S/C14H13NO3/c1-9-7-12(8-16)10(2)15(9)13-5-3-11(4-6-13)14(17)18/h3-8H,1-2H3,(H,17,18)/p-1
• InChIKey: GPYVXQQXXCPCGK-UHFFFAOYSA-M

Properties

• Boiling point: 446.408°C at 760 mmHg (Cal.)
• Flash point: 223.78°C (Cal.)