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3-(4-Methanesulfonylbenzoyl)Propionic Acid
[CAS# 7028-79-7]

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Identification
Name 3-(4-Methanesulfonylbenzoyl)Propionic Acid
Synonyms 4-(4-Methylsulfonylphenyl)-4-Oxo-Butanoic Acid; 4-Keto-4-(4-Mesylphenyl)Butyric Acid; St5408149
Molecular Structure CAS#: 7028-79-7, 3-(4-Methanesulfonylbenzoyl)Propionic Acid
Molecular Formula C11H12O5S
Molecular Weight 256.27
CAS Registry Number 7028-79-7
SMILES C1=CC(=CC=C1C(CCC(O)=O)=O)[S](C)(=O)=O
InChI 1S/C11H12O5S/c1-17(15,16)9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey LOIRMIGGBFNYOZ-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 168-172°C (Expl.)
Boiling point 541.5±50.0°C at 760 mmHg (Cal.)
Flash point 281.3±30.1°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description IRRITANT
SDS Available
References
(1) D. E. Lynch and I. McClenaghan. 3-[4-(Methylsulfonyl)benzoyl]propionic acid, Acta Cryst. (2002). E58, o729-o730 
Market Analysis Reports
List of Reports Available for 3-(4-Methanesulfonylbenzoyl)Propionic Acid
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