3,4,5-Trihydroxy-5-(Hydroxymethyl)-2-Methoxycyclohex-2-En-1-One
[CAS# 76663-30-4]

Identification

• Name: 3,4,5-Trihydroxy-5-(Hydroxymethyl)-2-Methoxycyclohex-2-En-1-One
• Synonyms: 3,4,5-Trihydroxy-5-(Hydroxymethyl)-2-Methoxy-Cyclohex-2-En-1-One; 3,4,5-Trihydroxy-5-(Hydroxymethyl)-2-Methoxy-1-Cyclohex-2-Enone; 3,4,5-Trihydroxy-2-Methoxy-5-Methylol-Cyclohex-2-En-1-One
• Molecular Formula: C₈H₁₂O₆
• Molecular Weight: 204.18
• CAS Registry Number: 76663-30-4
• SMILES: C(O)C1(O)C(O)C(=C(OC)C(=O)C1)O
• InChI: 1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3
• InChIKey: KENOUOLPKKQXMX-UHFFFAOYSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 433.572°C at 760 mmHg (Cal.)
• Flash point: 178.953°C (Cal.)