7311-93-5
3-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID
Name
3-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID
Formula
C12 H15 N O4 S
MolWeight
269.319
1Identification
【Name】
3-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID
【CAS】
【MDL】
MFCD00760901
【English Synonyms】
【Formula】
C12 H15 N O4 S
【MolWeight】
269.319
【Inchi】
InChI=1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
【InChIKey】
InChIKey=QRFCJPBEPZZXEE-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)S(=O)(=O)N2CCCCC2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID.cml
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