4-[5-(Methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[5-(Methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid
• CAS No.: 396105-96-7
• Molecular Formula: C13H15NO5S
• Molecular Weight: 153.01
• Hs Code.: 2933990090
• European Community (EC) Number: 674-427-1
• DSSTox Substance ID: DTXSID20375565
• Wikidata: Q82164142
• Mol file: 396105-96-7.mol

Synonyms:396105-96-7;4-[5-(Methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid;4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoic acid;4-(5-(Methylsulfonyl)indolin-1-yl)-4-oxobutanoic acid;4-[5-(methylsulphonyl)-2,3-dihydro-1h-indol-1-yl]-4-oxobutanoic acid;Peakdale1_000979;4-(2,3-dihydro-5-(methylsulfonyl)-1h-indol-1-yl)-4-oxobutanoic acid;4-[2,3-Dihydro-5-(methylsulfonyl)-1H-indol-1-yl]-4-oxobutanoic acid;SCHEMBL18503837;HMS520M11;DTXSID20375565;WQA10596;MFCD01319206;AKOS015852542;SB64849;CS-0366384;FT-0676932;A824647;SR-01000384299;SR-01000384299-1;4-(5-(Methylsulfonyl)indolin-1-yl)-4-oxobutanoicacid;4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid;4-[5-(Methanesulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid;4-[5-(methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid, AldrichCPR

Chemical Property of 4-[5-(Methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 0.000593mmHg at 25°C
• Melting Point: 154-156
• Boiling Point: 676.7 °C at 760 mmHg
• Flash Point: 363 °C
• PSA: 100.13000
• Density: 1.414 g/cm³
• LogP: 1.98980
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 297.06709375
• Heavy Atom Count: 20
• Complexity: 495

Purity/Quality:

98%Min ^*data from raw suppliers

4-[2,3-Dihydro-5-(methylsulfonyl)-1H-indol-1-yl]-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC(=O)O