Dl-benzylsuccinic acid

• CAS: 884-33-3
• Catalog Number: ACM884333
• Category: Other Products
• Molecular Weight: 208.21
• Molecular Formula: C11H12O4
• Synonyms: Benzyl butanedioic acid
• IUPAC Name: 2-Benzylbutanedioic acid
• Canonical SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
• InChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
• InChI Key: GTOFKXZQQDSVFH-UHFFFAOYSA-N
• Boiling Point: 331.4±22.0 °C
• Melting Point: 161-163 °C
• Density: 1.290±0.06 g/cm³
• Appearance: White to off-white solid
• Storage: Sealed in dry, room temperature
• Complexity: 231
• Exact Mass: 208.07355886
• Monoisotopic Mass: 208.07355886
• pKa: 3.97±0.10(Predicted)
• Topological Polar Surface Area: 74.6 Ų