3-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)-4-Methylbenzoic Acid
[CAS# 505071-98-7]

Identification

• Name: 3-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)-4-Methylbenzoic Acid
• Synonyms: 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-; methylbenzoic acid; 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid; 3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid
• Molecular Formula: C₁₅H₁₅NO₃
• Molecular Weight: 257.28
• CAS Registry Number: 505071-98-7
• SMILES: CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=O)C
• InChI: 1S/C15H15NO3/c1-9-4-5-12(15(18)19)7-14(9)16-10(2)6-13(8-17)11(16)3/h4-8H,1-3H3,(H,18,19)
• InChIKey: JROHLCMQZNZGHG-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 482.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 245.5±28.7°C (Cal.)
• Refractive index: 1.583 (Cal.)