(1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid

Base Information

• Chemical Name: (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
• CAS No.: 100459-00-5
• Molecular Formula: C7H8 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID60186076
• Nikkaji Number: J1.686.130H
• Wikidata: Q27117306
• Metabolomics Workbench ID: 55717
• Mol file: 100459-00-5.mol

Synonyms:cyclohexadiene-1,2-diol-1-carboxylic acid

Chemical Property of (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid

Chemical Property:

• Vapor Pressure: 5.59E-08mmHg at 25°C
• Boiling Point: 397.8°Cat760mmHg
• Flash Point: 208.5°C
• PSA: 77.76000
• Density: 1.605g/cm³
• LogP: -0.71100
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.04225873
• Heavy Atom Count: 11
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(C(C=C1)(C(=O)O)O)O
• Isomeric SMILES: C1=C[C@H]([C@@](C=C1)(C(=O)O)O)O

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