2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate

Base Information

• Chemical Name: 2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate
• CAS No.: 623176-87-4
• Molecular Formula: C12H8O4
• Molecular Weight: 216.18952
• DSSTox Substance ID: DTXSID80412687
• Nikkaji Number: J1.967.010D
• Wikidata: Q82220205
• Mol file: 623176-87-4.mol

Synonyms:623176-87-4;2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate;DTXSID80412687;Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate

Chemical Property of 2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate

Chemical Property:

• PSA: 66.76000
• LogP: 0.89120
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.04225873
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC#CCOC(=O)C1=CC(=CC(=C1)O)O