(2R,3S)-1-Carboxy-5-Iodo-4-Methyl-2,3-Dihydroxycyclohexa-4,6-Diene
[CAS# 205504-03-6]

Identification

• Name: (2R,3S)-1-Carboxy-5-Iodo-4-Methyl-2,3-Dihydroxycyclohexa-4,6-Diene
• Synonyms: (5S,6R)-5,6-Dihydroxy-3-Iodo-4-Methyl-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-5,6-Dihydroxy-3-Iodo-4-Methyl-1-Cyclohexa-1,3-Dienecarboxylate; Zinc04283971
• Molecular Formula: C₈H₈IO₄
• Molecular Weight: 295.05
• CAS Registry Number: 205504-03-6
• SMILES: [C@@H]1(O)[C@H](O)C(=CC(=C1C)I)C([O-])=O
• InChI: 1S/C8H9IO4/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2,6-7,10-11H,1H3,(H,12,13)/p-1/t6-,7+/m0/s1
• InChIKey: PHFNUCVOBHHQAQ-NKWVEPMBSA-M

Properties

• Boiling point: 422.975°C at 760 mmHg (Cal.)
• Flash point: 209.608°C (Cal.)