AG000JPX

122891-92-3 | 1-(Phenylsulfonyl)-4-piperidinecarboxylic acid

AG000JPX

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CAS Number	122891-92-3
Catalog Number	AG000JPX(AGN-PC-0JVP02)
Chemical Name	1-(Phenylsulfonyl)-4-piperidinecarboxylic acid
IUPAC Name	1-(benzenesulfonyl)piperidine-4-carboxylic acid
InChI	InChI=1S/C12H15NO4S/c14-12(15)10-6-8-13(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChI Key	ROBBWMKVNMSDPF-UHFFFAOYSA-N
MDL Number	MFCD00723116
Molecular Formula	C12H15NO4S
Molecular Weight	269.3168
SMILES	OC(=O)C1CCN(CC1)S(=O)(=O)C1=CC=CC=C1
Synonyms	122891-92-3, 1-(phenylsulfonyl)piperidine-4-carboxylic acid, 1-(phenylsulfonyl)-4-piperidinecarboxylic acid, 1-(benzenesulfonyl)piperidine-4-carboxylic acid, 1-Benzenesulfonyl-piperidine-4-carboxylic acid, 4-Piperidinecarboxylic acid, 1-(phenylsulfonyl)-, 4-Piperidinecarboxylicacid, 1-(phenylsulfonyl)-, BAS 00602886, AC1LEKY6, ACMC-1C3YD, AC1Q74NJ, Oprea1_179724, Oprea1_340598, IFLab1_000872, SCHEMBL2285784, CTK0I3020, KS-00001VUV, DTXSID30353278, ROBBWMKVNMSDPF-UHFFFAOYSA-N, HMS1414H14, ZINC168779, ALBB-015794, phenylsulfonylpiperidinecarboxylicacid, 4418AA, 4419AA, ANW-55879, AR3212, BBL002406, MFCD00723116, SBB009520, STK347073, AKOS000121802, MCULE-2115066579, RP15088, RTR-003645, AJ-16977, AB0086938, BB 0248094, EU-0036805, FT-0680304, N-benzenesulfonylpiperidine-4-carboxylic acid, ST45029147, EN300-00358, 1-Benzenesulfonyl-piperidine-4-carboxylic acid, 4-Piperidinecarboxylicacid,1-(phenylsulfonyl)-, L-4161, 3R-1011, I04-4297, Z45524825, F0306-0032, 667402-02-0, C7H18Cl2N2O, C12H15NO4S, Ethyl 2-(2-chlorophenyl)acetate, CID737718, N,N-Dimethyl-1-(morpholin-2-yl)methanamine dihydrochloride, 122894-40-0,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.072g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.315g/mol
Monoisotopic Mass	269.072g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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