(5S,6R)-4-Ethyl-5,6-Dihydroxycyclohexa-1,3-Diene-1-Carboxylate
[CAS# 205652-53-5]

Identification

• Name: (5S,6R)-4-Ethyl-5,6-Dihydroxycyclohexa-1,3-Diene-1-Carboxylate
• Synonyms: (5S,6R)-4-Ethyl-5,6-Dihydroxy-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-4-Ethyl-5,6-Dihydroxy-1-Cyclohexa-1,3-Dienecarboxylate; Zinc04262124
• Molecular Formula: C₉H₁₁O₄
• Molecular Weight: 183.18
• CAS Registry Number: 205652-53-5
• SMILES: [C@@H]1(O)[C@H](O)C(=CC=C1CC)C([O-])=O
• InChI: 1S/C9H12O4/c1-2-5-3-4-6(9(12)13)8(11)7(5)10/h3-4,7-8,10-11H,2H2,1H3,(H,12,13)/p-1/t7-,8+/m0/s1
• InChIKey: NWQJGTBITXXDED-JGVFFNPUSA-M

Properties

• Boiling point: 393.784°C at 760 mmHg (Cal.)
• Flash point: 206.12°C (Cal.)