2-Hydroxy-3-[(1S)-1-Phenylpropyl]Chromen-4-One
[CAS# 3770-63-6]

Identification

• Name: 2-Hydroxy-3-[(1S)-1-Phenylpropyl]Chromen-4-One
• Synonyms: 2-Hydroxy-3-[(1S)-1-Phenylpropyl]-4-Chromenone; 2-Hydroxy-3-[(1S)-1-Phenylpropyl]Chromone; (S)-Phenprocoumon
• Molecular Formula: C₁₈H₁₆O₃
• Molecular Weight: 280.32
• CAS Registry Number: 3770-63-6
• SMILES: [C@@H](CC)(C2=C(OC1=CC=CC=C1C2=O)O)C3=CC=CC=C3
• InChI: 1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,20H,2H2,1H3/t13-/m0/s1
• InChIKey: QNDUUBVQYBBRBW-ZDUSSCGKSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 419.516°C at 760 mmHg (Cal.)
• Flash point: 151.822°C (Cal.)