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Amb10069314

Duplicate ID
CAS Number 1000018-48-3
Molecule Name 4-(methylsulfonyl)-3-pyrrolidinobenzoic acid
4-Methylsulfonyl-3-(pyrrolidin-1-yl)benzoic acid
4-(Methylsulphonyl)-3-(pyrrolidin-1-yl)benzoic acid
SmilesOC(=O)c1ccc(c(c1)N1CCCC1)S(=O)(=O)C
InchiKeySPQRLYMDRXWCPI-UHFFFAOYSA-N
InChi InChI=1S/C12H15NO4S/c1-18(16,17)11-5-4-9(12(14)15)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
Formula C12H15NO4S
Molecular weight 269.317
Rings 2
logP 2.5343
PSA 83.06
MR 71.1373
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