2,3,6-Trimethylhept-4-yne-2,3,6-triol

Base Information

• Chemical Name: 2,3,6-Trimethylhept-4-yne-2,3,6-triol
• CAS No.: 57442-08-7
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• DSSTox Substance ID: DTXSID90543198
• Nikkaji Number: J803.563F

Synonyms:2,3,6-Trimethylhept-4-yne-2,3,6-triol;57442-08-7;DTXSID90543198

Chemical Property of 2,3,6-Trimethylhept-4-yne-2,3,6-triol

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#CC(C)(C(C)(C)O)O)O

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