(5S,6R)-5,6-Dihydroxy-4-Propan-2-Ylcyclohexa-1,3-Diene-1-Carboxylate
[CAS# 205652-50-2]

Identification

• Name: (5S,6R)-5,6-Dihydroxy-4-Propan-2-Ylcyclohexa-1,3-Diene-1-Carboxylate
• Synonyms: (5S,6R)-5,6-Dihydroxy-4-Isopropyl-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-5,6-Dihydroxy-4-Isopropyl-1-Cyclohexa-1,3-Dienecarboxylate; (5S,6R)-5,6-Dihydroxy-4-Propan-2-Yl-Cyclohexa-1,3-Diene-1-Carboxylate
• Molecular Formula: C₁₀H₁₃O₄
• Molecular Weight: 197.21
• CAS Registry Number: 205652-50-2
• SMILES: [C@H]1(O)[C@@H](O)C(=CC=C1C([O-])=O)C(C)C
• InChI: 1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/p-1/t8-,9+/m0/s1
• InChIKey: BUZNWVREDOAOGD-DTWKUNHWSA-M

Properties

• Boiling point: 391.045°C at 760 mmHg (Cal.)
• Flash point: 204.465°C (Cal.)