3-(1,3-Benzodioxol-5-yl)prop-2-yn-1-ol

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)prop-2-yn-1-ol
• CAS No.: 6258-37-3
• Molecular Formula: C10H8O3
• Molecular Weight: 176.172
• DSSTox Substance ID: DTXSID50456533
• Nikkaji Number: J3.289.434H
• Wikidata: Q82279080

Synonyms:3-(1,3-benzodioxol-5-yl)prop-2-yn-1-ol;6258-37-3;SCHEMBL2155635;DTXSID50456533;IDACMXRFNPOSPL-UHFFFAOYSA-N;3-(1,3-Benzodioxole-5-yl)-2-propyne-1-ol

Chemical Property of 3-(1,3-Benzodioxol-5-yl)prop-2-yn-1-ol

Chemical Property:

• PSA: 38.69000
• LogP: 0.75910
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C#CCO

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