1,4-Dimethylcyclohexa-1,3-dien-5-yne

Base Information

• Chemical Name: 1,4-Dimethylcyclohexa-1,3-dien-5-yne
• CAS No.: 59309-68-1
• Molecular Formula: C8H8
• Molecular Weight: 104.14900
• DSSTox Substance ID: DTXSID20517665
• Nikkaji Number: J464.601K
• Wikidata: Q82379806

Synonyms:1,4-Dimethylcyclohexa-1,3-dien-5-yne;3,6-Dimethylbenzyne;59309-68-1;DTXSID20517665

Chemical Property of 1,4-Dimethylcyclohexa-1,3-dien-5-yne

Chemical Property:

• PSA: 0.00000
• LogP: 1.89600
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 104.062600255
• Heavy Atom Count: 8
• Complexity: 56.4

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C=C=C(C=C1)C

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