2-(3-Phenylpropyl)Propanedioic Acid
[CAS# 5454-06-8]

Identification

• Name: 2-(3-Phenylpropyl)Propanedioic Acid
• Synonyms: 2-(3-Phenylpropyl)Malonic Acid; Nsc23243; Propanedioic Acid, 2-(3-Phenylpropyl)-
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 5454-06-8
• SMILES: C1=CC=CC=C1CCCC(C(O)=O)C(=O)O
• InChI: 1S/C12H14O4/c13-11(14)10(12(15)16)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)(H,15,16)
• InChIKey: KRZLPCLVDVLDJZ-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 455.883°C at 760 mmHg (Cal.)
• Flash point: 243.634°C (Cal.)