trans-2-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid

Base Information

• Chemical Name: trans-2-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid
• CAS No.: 733742-76-2
• Molecular Formula: C16H20O3
• Molecular Weight: 260.33
• DSSTox Substance ID: DTXSID50641361
• Wikidata: Q82551987
• Mol file: 733742-76-2.mol

Synonyms:TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID;733742-76-2;(1R,2R)-2-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid;MFCD01319744;DTXSID50641361;AKOS016017483;TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLICACID

Chemical Property of trans-2-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 2E-08mmHg at 25°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.14124450
• Heavy Atom Count: 19
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

Trans-2-(2-ethylbenzoyl)cyclohexane-1-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=CC=C1C(=O)C2CCCCC2C(=O)O
• Isomeric SMILES: CCC1=CC=CC=C1C(=O)[C@@H]2CCCC[C@H]2C(=O)O