Home Sulfos 1-(ethanesulfonyl)piperidine-3-carboxylic acid

1-(ethanesulfonyl)piperidine-3-carboxylic acid

CAS No.:
702695-86-1
Catalog Number:
AG019LFT
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
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Product Description
Catalog Number:
AG019LFT
Chemical Name:
1-(ethanesulfonyl)piperidine-3-carboxylic acid
CAS Number:
702695-86-1
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
MDL Number:
MFCD03830441
IUPAC Name:
1-ethylsulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-4-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
YZHIQGPZSGQQQP-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CCCC(C1)C(=O)O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.271g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties