2-(3-Methyl-4-methylsulfonylphenoxy)acetic acid

Base Information

• Chemical Name: 2-(3-Methyl-4-methylsulfonylphenoxy)acetic acid
• CAS No.: 15267-77-3
• Molecular Formula: C10H12 O5 S
• Molecular Weight: 244.26
• DSSTox Substance ID: DTXSID90165096
• Nikkaji Number: J452.008D
• Wikidata: Q83034245
• ChEMBL ID: CHEMBL1734920
• Mol file: 15267-77-3.mol

Synonyms:15267-77-3;2-(3-methyl-4-methylsulfonylphenoxy)acetic acid;2-(3-METHYL-4-METHYLSULFONYL-PHENOXY)ACETIC ACID;Acetic acid, ((4-(methylsulfonyl)-m-tolyl)oxy)-;((4-(Methylsulfonyl)-m-tolyl)oxy)acetic acid;MLS-0412047.0001;[3-methyl-4-(methylsulfonyl)phenoxy]acetic acid;Oprea1_807274;AG-664/25003439;cid_27161;CHEMBL1734920;BDBM46220;DTXSID90165096;2-(4-mesyl-3-methyl-phenoxy)acetic acid;3-Methyl-4-methanesulfonylphenoxyacetic acid;2-(3-methyl-4-methylsulfonyl-phenoxy)ethanoic acid

Chemical Property of 2-(3-Methyl-4-methylsulfonylphenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 7.22E-10mmHg at 25°C
• Boiling Point: 476°Cat760mmHg
• Flash Point: 241.7°C
• PSA: 89.05000
• Density: 1.337g/cm³
• LogP: 1.94270
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.04054465
• Heavy Atom Count: 16
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OCC(=O)O)S(=O)(=O)C

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