3,6-Dihydroxy-2-(3-Methyl-3-Buten-1-Yn-1-Yl)Benzaldehyde
[CAS# 63160-46-3]

Identification

• Name: 3,6-Dihydroxy-2-(3-Methyl-3-Buten-1-Yn-1-Yl)Benzaldehyde
• Synonyms: frustulosin
• Molecular Formula: C₁₂H₁₀O₃
• Molecular Weight: 202.21
• CAS Registry Number: 63160-46-3
• SMILES: O=Cc1c(O)ccc(O)c1C#C\C(=C)C
• InChI: 1S/C12H10O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-7,14-15H,1H2,2H3
• InChIKey: ZEFPFLXIQAIPNE-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 354.878°C at 760 mmHg (Cal.)
• Flash point: 182.615°C (Cal.)