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10252-83-2,MFCD01033230
Catalog No.:AA0007KR
10252-83-2 | 4-(Piperidine-1-sulfonyl)-benzoic acid
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Purity
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Price(USD)
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1g
98%
in stock  
$164.00   $115.00
- +
5g
98%
in stock  
$555.00   $389.00
- +
10g
98%
in stock  
$786.00   $550.00
- +
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Technical Information
Catalog Number:
AA0007KR
Chemical Name:
4-(Piperidine-1-sulfonyl)-benzoic acid
CAS Number:
10252-83-2
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD01033230
IUPAC Name:
4-piperidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChI Key:
UQNINMUUJYRESG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Computed Properties
 
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:
1.4  

Synonyms
 
10252-83-2 
4-(piperidin-1-ylsulfonyl)benzoic acid 
Oprea1_394739 
CBDivE_003764 
IFLab1_000591 
SCHEMBL1832051 
CTK4A1174 
DTXSID50353614 
UQNINMUUJYRESG-UHFFFAOYSA-N 
4-(Piperidinosulfonyl)benzoic acid 
HMS1413K19 
ZINC190172 
4-(Piperidine-1-sulfonyl)-benzoic acid 
AC1Q7377 
ACMC-209821 
ALBB-031736 
4-piperidin-1-ylsulfonylbenzoic acid 
ANW-14711 
MFCD01033230 
SBB038239 
STK863542 
AKOS000114248 
MCULE-8902638361 
4-(piperidine-1-sulfonyl)benzoic acid 
IDI1_008810 
Benzoic acid,4-(1-piperidinylsulfonyl)- 
AJ-17759 
AB0167037 
ST2405462 
TR-041305 
BB 0220571 
ST45092838 
Z6534 
EN300-00394 
4-(piperidylsulfonyl)benzoic acid 
B-6280 
4-(1-Piperidinylsulfonyl)benzoic acid AldrichCPR 
4-(1-Piperidinylsulfonyl)benzoic acid, AldrichCPR 
I01-11781 
Z53033942 
F0146-0013 
F1386-0330 
C12H15NO4S 
AR-1F7231 
CID746555 
Benzoic acid, 4-(1-piperidinylsulfonyl)- 
4-(Piperidin-1-ylsulfonyl)benzoicacid 
102613-30-9 
BAS 02992725 
AC1Q6TVT 
AC1LF42S 
Oprea1_121208 
Literature
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