3-(1,1-Dimethyl Allyl)Herniarin
[CAS# 20958-63-8]

Identification

• Name: 3-(1,1-Dimethyl Allyl)Herniarin
• Synonyms: 3-(1,1-Dimethylprop-2-Enyl)-7-Methoxy-Chromen-2-One; 3-(1,1-Dimethylprop-2-Enyl)-7-Methoxy-2-Chromenone; 3-(1,1-Dimethylprop-2-Enyl)-7-Methoxy-Coumarin
• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.29
• CAS Registry Number: 20958-63-8
• SMILES: C2=C1OC(=O)C(=CC1=CC=C2OC)C(C=C)(C)C
• InChI: 1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3
• InChIKey: BTXKAWICQLJRID-UHFFFAOYSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 373.002°C at 760 mmHg (Cal.)
• Flash point: 156.379°C (Cal.)