Pyrene, 2-ethynyl-

Base Information

• Chemical Name: Pyrene, 2-ethynyl-
• CAS No.: 146445-96-7
• Molecular Formula: C18H10
• Molecular Weight: 226.277
• DSSTox Substance ID: DTXSID60445751
• Nikkaji Number: J492.348K
• Wikidata: Q82264278
• Pharos Ligand ID: 85F58PCM64JA
• ChEMBL ID: CHEMBL3215302

Synonyms:2-ethynylpyrene

Chemical Property of Pyrene, 2-ethynyl-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 226.078250319
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

99.90% ^*data from raw suppliers

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• Canonical SMILES: C#CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2

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