4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid

Base Information

• Chemical Name: 4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid
• CAS No.: 3648-77-9
• Molecular Formula: C13H16O3
• Molecular Weight: 220.26
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40594438
• Wikidata: Q82489266
• Mol file: 3648-77-9.mol

Synonyms:3648-77-9;4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid;4-(2-methylphenyl)oxane-4-carboxylic acid;4-(o-Tolyl)tetrahydro-2H-pyran-4-carboxylic acid;DTXSID40594438;AKOS000506093;CS-0251398;EN300-54625;4-o-tolyltetrahydro-2H-pyran-4-carboxylic acid;4-(o-Tolyl)tetrahydro-2H-pyran-4-carboxylicacid;4-(2-Methylphenyl)-tetrahydropyran-4-carboxylic acid;Z361883514;4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid, AldrichCPR

Chemical Property of 4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.12780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%Min ^*data from raw suppliers

4-O-Tolyl-tetrahydro-pyran-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2(CCOCC2)C(=O)O