(5S,6R)-4-Tert-Butyl-5,6-Dihydroxycyclohexa-1,3-Diene-1-Carboxylate
[CAS# 205639-92-5]

Identification

• Name: (5S,6R)-4-Tert-Butyl-5,6-Dihydroxycyclohexa-1,3-Diene-1-Carboxylate
• Synonyms: (5S,6R)-4-Tert-Butyl-5,6-Dihydroxy-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-4-Tert-Butyl-5,6-Dihydroxy-1-Cyclohexa-1,3-Dienecarboxylate; Zinc04262122
• Molecular Formula: C₁₁H₁₅O₄
• Molecular Weight: 211.24
• CAS Registry Number: 205639-92-5
• SMILES: [C@H]1(O)C(=CC=C([C@H]1O)C([O-])=O)C(C)(C)C
• InChI: 1S/C11H16O4/c1-11(2,3)7-5-4-6(10(14)15)8(12)9(7)13/h4-5,8-9,12-13H,1-3H3,(H,14,15)/p-1/t8-,9+/m1/s1
• InChIKey: BHVDNSFXALRISF-BDAKNGLRSA-M

Properties

• Boiling point: 390.418°C at 760 mmHg (Cal.)
• Flash point: 204.086°C (Cal.)