trans-2-(2,4-Dimethylbenzoyl)cyclopentane-1-carboxylic acid

Base Information

• Chemical Name: trans-2-(2,4-Dimethylbenzoyl)cyclopentane-1-carboxylic acid
• CAS No.: 733741-14-5
• Molecular Formula: C15H18O3
• Molecular Weight: 246.30
• DSSTox Substance ID: DTXSID60641337
• Wikidata: Q82551917
• Mol file: 733741-14-5.mol

Synonyms:733741-14-5;TRANS-2-(2,4-DIMETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID;(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclopentane-1-carboxylic acid;MFCD01311258;DTXSID60641337;AKOS016017504;TRANS-2-(2,4-DIMETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID;TRANS-2-(2,4-DIMETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID,>95%

Chemical Property of trans-2-(2,4-Dimethylbenzoyl)cyclopentane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.01E-08mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Trans-2-(2,4-dimethylbenzoyl)cyclopentane-1-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(=O)C2CCCC2C(=O)O)C
• Isomeric SMILES: CC1=CC(=C(C=C1)C(=O)[C@@H]2CCC[C@H]2C(=O)O)C

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