3-Dehydroshikimate
[CAS# 27655-56-7]

Identification

• Name: 3-Dehydroshikimate
• Synonyms: (6R)-4-(Dihydroxymethylene)-2,6-Dihydroxy-Cyclohex-2-En-1-One; (6R)-4-(Dihydroxymethylene)-2,6-Dihydroxy-1-Cyclohex-2-Enone; (6R)-4-(Dihydroxymethylidene)-2,6-Dihydroxy-Cyclohex-2-En-1-One
• Molecular Formula: C₇H₈O₅
• Molecular Weight: 172.14
• CAS Registry Number: 27655-56-7
• SMILES: [C@@H]1(O)CC(C=C(O)C1=O)=C(O)O
• InChI: 1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5,8-9,11-12H,2H2/t5-/m1/s1
• InChIKey: ODWFXTWIXMZSBO-RXMQYKEDSA-N

Properties

• Density: 1.869g/cm³ (Cal.)
• Boiling point: 381.038°C at 760 mmHg (Cal.)
• Flash point: 198.419°C (Cal.)