539814-13-6
3-(4-METHANESULFONYLOXOPHENYL)-PROPANOIC ACID
Name
3-(4-METHANESULFONYLOXOPHENYL)-PROPANOIC ACID
Formula
C10 H12 O5 S
MolWeight
244.266
1Identification
【Name】
3-(4-METHANESULFONYLOXOPHENYL)-PROPANOIC ACID
【CAS】
【MDL】
MFCD03411191
【English Synonyms】
【Formula】
C10 H12 O5 S
【MolWeight】
244.266
【Inchi】
InChI=1S/C10H12O5S/c1-16(13,14)15-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
【InChIKey】
InChIKey=JIVAIPRDORXNHK-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)Oc1ccc(cc1)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHANESULFONYLOXOPHENYL)-PROPANOIC ACID.cml
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Alfa Chemistry
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