19580-33-7
4-(PYRROLIDIN-1-YLSULFONYL)BENZOIC ACID
Name
4-(PYRROLIDIN-1-YLSULFONYL)BENZOIC ACID
Formula
C11 H13 N O4 S
MolWeight
255.293
1Identification
【Name】
4-(PYRROLIDIN-1-YLSULFONYL)BENZOIC ACID
【CAS】
【MDL】
MFCD00551820
【English Synonyms】
【Formula】
C11 H13 N O4 S
【MolWeight】
255.293
【Inchi】
InChI=1S/C11H13NO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14)
【InChIKey】
InChIKey=LTIXOYIZMIXNIK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)S(=O)(=O)N2CCCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(PYRROLIDIN-1-YLSULFONYL)BENZOIC ACID.cml
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