8-[(2S)-2-Hydroperoxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 8-[(2S)-2-Hydroperoxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one
• CAS No.: 109741-39-1
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.289
• ChEMBL ID: CHEMBL3426681
• DSSTox Substance ID: DTXSID201141328
• Wikidata: Q104999643
• Mol file: 109741-39-1.mol

Synonyms:CHEMBL3426681;DTXSID201141328;8-[(2S)-2-Hydroperoxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one;109741-39-1

Chemical Property of 8-[(2S)-2-Hydroperoxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)OO
• Isomeric SMILES: CC(=C)[C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)OO