5-(2,3-Dimethoxyphenyl)-5-oxopentanoic acid
[CAS# 898792-29-5]

Identification

• Name: 5-(2,3-Dimethoxyphenyl)-5-oxopentanoic acid
• Synonyms: 5-(2,3-Dimethoxyphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.26
• CAS Registry Number: 898792-29-5
• SMILES: COc1cccc(c1OC)C(=O)CCCC(O)=O
• InChI: 1S/C13H16O5/c1-17-11-7-3-5-9(13(11)18-2)10(14)6-4-8-12(15)16/h3,5,7H,4,6,8H2,1-2H3,(H,15,16)
• InChIKey: UNLZVZIWVFSERB-UHFFFAOYSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 427.099°C at 760 mmHg (Cal.)
• Flash point: 161.352°C (Cal.)
• Refractive index: 1.522 (Cal.)