5,6-Dihydroxy-4-methylcyclohexa-1,3-diene-1-carboxylatato

Base Information

• Chemical Name: 5,6-Dihydroxy-4-methylcyclohexa-1,3-diene-1-carboxylatato
• CAS No.: 193338-30-6
• Molecular Formula: C8H10 O4
• Molecular Weight: 169.1552
• DSSTox Substance ID: DTXSID20941007
• Wikidata: Q82917772
• Mol file: 193338-30-6.mol

Synonyms:DTXSID20941007;5,6-Dihydroxy-4-methylcyclohexa-1,3-diene-1-carboxylatato

Chemical Property of 5,6-Dihydroxy-4-methylcyclohexa-1,3-diene-1-carboxylatato

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 389.9°Cat760mmHg
• PKA: 4.39±0.60(Predicted)
• Flash Point: 203.7°C
• PSA: 77.76000
• Density: g/cm³
• LogP: -0.32090
• Storage Temp.: Freezer (-20°C)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.05008376
• Heavy Atom Count: 12
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C(C1O)O)C(=O)[O-]
• Isomeric SMILES: CC1=CC=C([C@H]([C@H]1O)O)C(=O)[O-]

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