(5S,6R)-5,6-Dihydroxy-4-Propylcyclohexa-1,3-Diene-1-Carboxylate
[CAS# 205652-51-3]

Identification

• Name: (5S,6R)-5,6-Dihydroxy-4-Propylcyclohexa-1,3-Diene-1-Carboxylate
• Synonyms: (5S,6R)-5,6-Dihydroxy-4-Propyl-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-5,6-Dihydroxy-4-Propyl-1-Cyclohexa-1,3-Dienecarboxylate; Zinc04262123
• Molecular Formula: C₁₀H₁₃O₄
• Molecular Weight: 197.21
• CAS Registry Number: 205652-51-3
• SMILES: [C@H]1(O)C(=CC=C([C@H]1O)C([O-])=O)CCC
• InChI: 1S/C10H14O4/c1-2-3-6-4-5-7(10(13)14)9(12)8(6)11/h4-5,8-9,11-12H,2-3H2,1H3,(H,13,14)/p-1/t8-,9+/m0/s1
• InChIKey: IVDTWAWVLYDSAB-DTWKUNHWSA-M

Properties

• Boiling point: 399.953°C at 760 mmHg (Cal.)
• Flash point: 209.846°C (Cal.)