Toxyl angelate

Base Information

• Chemical Name: Toxyl angelate
• CAS No.: 106928-36-3
• Molecular Formula: C18H20 O4
• Molecular Weight: 300.349
• DSSTox Substance ID: DTXSID40474620
• Metabolomics Workbench ID: 70858
• Nikkaji Number: J2.767.723A
• Wikidata: Q27108458
• Mol file: 106928-36-3.mol

Synonyms:TOXYL ANGELATE;106928-36-3;C08981;[(2S,3R)-5-acetyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate;CHEBI:9646;DTXSID40474620;Q27108458;[(2S,3R)-5-acetyl-2-isopropenyl-2,3-dihydrobenzofuran-3-yl] (Z)-2-methylbut-2-enoate

Chemical Property of Toxyl angelate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 415.2°Cat760mmHg
• Flash Point: 181.5°C
• PSA: 52.60000
• Density: 1.14g/cm³
• LogP: 3.77680
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 300.13615911
• Heavy Atom Count: 22
• Complexity: 505

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C=C(C=C2)C(=O)C)C(=C)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H](OC2=C1C=C(C=C2)C(=O)C)C(=C)C

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