(5S,6R)-5,6-Dihydroxy-4-(2-methyl-2-propanyl)-1,3-cyclohexadiene-1-carboxylic acid
[CAS# 775267-87-3]

Identification

• Name: (5S,6R)-5,6-Dihydroxy-4-(2-methyl-2-propanyl)-1,3-cyclohexadiene-1-carboxylic acid
• Synonyms: (5S,6R)-4-(tert-butyl)-5,6-dihydroxycyclohexa-1,3-dienecarboxylic acid
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24
• CAS Registry Number: 775267-87-3
• SMILES: O=C(O)\C1=C\C=C(\C(C)(C)C)[C@H](O)[C@@H]1O
• 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)/t8-,9+/m1/s1
• InChIKey: BHVDNSFXALRISF-BDAKNGLRSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 390.418°C at 760 mmHg (Cal.)
• Flash point: 204.086°C (Cal.)
• Refractive index: 1.588 (Cal.)