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CAS Number: 387350-46-1
3-(4-(methylsulfonyl)phenyl)propanoic acid

Structure

3-(4-(methylsulfonyl)phenyl)propanoic acid
Name: 3-(4-(methylsulfonyl)phenyl)propanoic acid
Synonyms:
General Information
Product Number: 387350461

CAS Registry Number 387350-46-1
Name:
Benzenepropanoic acid, 4-​(methylsulfonyl)​-
3-[4-(Methylsulfonyl)phenyl]propanoic acid
4-Methylsulfonylbenzenepropanoic acid

 

Chemical Formula: C10H12O4S
Exact Mass: 228.05
Molecular Weight: 228.26
m/z: 228.05 (100.0%), 229.05 (11.9%), 230.04 (4.5%), 230.05 (1.5%)

 

InChI:InChI=1S/C10H12O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)

InChI Key:ZZZBVBATZOAPQB-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 171-172 °C   (1)CAS

Specification

98%

References
  1. (1) Fuller, A. T.; Journal of the Chemical Society 1945, P633-40 CAPLUS
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