5-(2,6-Dimethoxyphenyl)-5-oxopentanoic acid
[CAS# 898792-47-7]

Identification

• Name: 5-(2,6-Dimethoxyphenyl)-5-oxopentanoic acid
• Synonyms: 5-(2,6-Dimethoxyphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.26
• CAS Registry Number: 898792-47-7
• SMILES: COc1cccc(OC)c1C(=O)CCCC(O)=O
• InChI: 1S/C13H16O5/c1-17-10-6-4-7-11(18-2)13(10)9(14)5-3-8-12(15)16/h4,6-7H,3,5,8H2,1-2H3,(H,15,16)
• InChIKey: KPTWCLPZKPCJCX-UHFFFAOYSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 448.411°C at 760 mmHg (Cal.)
• Flash point: 170.637°C (Cal.)
• Refractive index: 1.522 (Cal.)