5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carboxylic Acid
[CAS# 176487-06-2]

Identification

• Name: 5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carboxylic Acid
• Synonyms: 1,3-CYCLOHEXADIENE-1-CARBOXYLICACID, 5,6-DIHYDROXY-, (5S,6S)-; 2,3-dihydro-2,3-dihydroxybenzoic acid; 2,3-dihydroxy-2,3-dihydrobenzoic acid
• Molecular Formula: C₇H₈O₄
• Molecular Weight: 156.14
• CAS Registry Number: 176487-06-2
• SMILES: C1=CC(C(C(=C1)C(=O)O)O)O
• InChI: 1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
• InChIKey: INCSWYKICIYAHB-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 397.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 208.5±24.4°C (Cal.)
• Refractive index: 1.666 (Cal.)

References

• (1): Samel Stefan A.. How to tailor non-ribosomal peptide products—new clues about the structures and mechanisms of modifying enzymes, Molecular BioSystems, 2008