4-[(E)-But-2-Enoyl]-3-Methoxy-5-Methylbenzoic Acid
[CAS# 79214-49-6]

Identification

• Name: 4-[(E)-But-2-Enoyl]-3-Methoxy-5-Methylbenzoic Acid
• Synonyms: 4-[(E)-But-2-Enoyl]-3-Methoxy-5-Methyl-Benzoic Acid; 3-Methoxy-5-Methyl-4-[(E)-1-Oxobut-2-Enyl]Benzoic Acid; Benzoic Acid, 3-Methoxy-5-Methyl-4-(1-Oxo-2-Butenyl)-
• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25
• CAS Registry Number: 79214-49-6
• SMILES: C1=C(C(=C(C=C1C(=O)O)C)C(/C=C/C)=O)OC
• InChI: 1S/C13H14O4/c1-4-5-10(14)12-8(2)6-9(13(15)16)7-11(12)17-3/h4-7H,1-3H3,(H,15,16)/b5-4+
• InChIKey: OVZSCDODFBUOPL-SNAWJCMRSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 434.193°C at 760 mmHg (Cal.)
• Flash point: 167.189°C (Cal.)