Obovatal
[CAS# 83864-77-1]

Identification

• Name: Obovatal
• Synonyms: (E)-3-[3-(4-Allylphenoxy)-4,5-Dihydroxy-Phenyl]Prop-2-Enal; (E)-3-[3-(4-Allylphenoxy)-4,5-Dihydroxyphenyl]Prop-2-Enal; (E)-3-[3-(4-Allylphenoxy)-4,5-Dihydroxy-Phenyl]Acrolein
• Molecular Formula: C₁₈H₁₆O₄
• Molecular Weight: 296.32
• CAS Registry Number: 83864-77-1
• SMILES: C1=C(C=C(C(=C1OC2=CC=C(CC=C)C=C2)O)O)/C=C/C=O
• InChI: 1S/C18H16O4/c1-2-4-13-6-8-15(9-7-13)22-17-12-14(5-3-10-19)11-16(20)18(17)21/h2-3,5-12,20-21H,1,4H2/b5-3+
• InChIKey: KGHJODCHEIEYBP-HWKANZROSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 472.046°C at 760 mmHg (Cal.)
• Flash point: 171.524°C (Cal.)