4-(3-Methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
[CAS# 898766-61-5]

Identification

• Name: 4-(3-Methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
• Synonyms: 2,2-Dimethyl-4-(3-methoxyphenyl)-4-oxobutyric acid
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• CAS Registry Number: 898766-61-5
• SMILES: COc1cc(ccc1)C(=O)CC(C)(C)C(O)=O
• InChI: 1S/C13H16O4/c1-13(2,12(15)16)8-11(14)9-5-4-6-10(7-9)17-3/h4-7H,8H2,1-3H3,(H,15,16)
• InChIKey: HZTLYJVRGLYRHJ-UHFFFAOYSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 396.851°C at 760 mmHg (Cal.)
• Flash point: 149.495°C (Cal.)
• Refractive index: 1.524 (Cal.)