1H-2-Benzopyran-1-one, 3-(1-butynyl)-

Base Information

• Chemical Name: 1H-2-Benzopyran-1-one, 3-(1-butynyl)-
• CAS No.: 654058-25-0
• Molecular Formula: C13H10O2
• ChEMBL ID: CHEMBL503684
• DSSTox Substance ID: DTXSID50462977
• Metabolomics Workbench ID: 139945
• Nikkaji Number: J2.006.554K
• Wikidata: Q82287661

Synonyms:1H-2-Benzopyran-1-one, 3-(1-butynyl)-;654058-25-0;corfin;CHEMBL503684;SCHEMBL9756657;DTXSID50462977

Chemical Property of 1H-2-Benzopyran-1-one, 3-(1-butynyl)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC1=CC2=CC=CC=C2C(=O)O1

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