4-m-Tolyl-tetrahydro-pyran-4-carboxylic acid

Base Information

• Chemical Name: 4-m-Tolyl-tetrahydro-pyran-4-carboxylic acid
• CAS No.: 889940-10-7
• Molecular Formula: C13H16O3
• Molecular Weight: 220.26
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80594437
• Wikidata: Q82489265
• Mol file: 889940-10-7.mol

Synonyms:889940-10-7;4-m-Tolyl-tetrahydro-pyran-4-carboxylic acid;4-(3-methylphenyl)oxane-4-carboxylic acid;4-(m-Tolyl)tetrahydro-2H-pyran-4-carboxylic acid;4-m-tolyltetrahydro-2H-pyran-4-carboxylic acid;tetrahydro-4-(3-methylphenyl)-2H-Pyran-4-carboxylic acid;4-(3-Methylphenyl)tetrahydropyran-4-carboxylic acid;4-(3-methylphenyl)tetrahydro-2H-pyran-4-carboxylic acid;SCHEMBL9911073;DTXSID80594437;BBL031014;STL368336;AKOS000111832;VS-10181;m-tolyl tetrahydro-2H-pyran-4-carboxylate;DB-078268;CS-0280445;4-(m-tolyl)tetrahydropyran-4-carboxylic acid;4-(m-Tolyl)tetrahydro-2H-pyran-4-carboxylicacid;EN300-1826600

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

Chemical Property:

• Vapor Pressure: 1.89E-06mmHg at 25°C
• Boiling Point: 379.9°C at 760 mmHg
• Flash Point: 145.2°C
• PSA: 46.53000
• Density: 1.167g/cm³
• 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-m-Tolyl-tetrahydro-pyran-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2(CCOCC2)C(=O)O