4,5,5-Trichloro-2-(propan-2-yl)pent-4-enoic acid

Base Information

• Chemical Name: 4,5,5-Trichloro-2-(propan-2-yl)pent-4-enoic acid
• CAS No.: 87953-18-2
• Molecular Formula: C8H11Cl3O2
• Molecular Weight: 245.53100
• DSSTox Substance ID: DTXSID00607033

Synonyms:87953-18-2;4,5,5-Trichloro-2-(propan-2-yl)pent-4-enoic acid;SCHEMBL10989611;DTXSID00607033

Chemical Property of 4,5,5-Trichloro-2-(propan-2-yl)pent-4-enoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.61880
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 243.982463
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CC(=C(Cl)Cl)Cl)C(=O)O

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