Home Sulfos 1-(propane-1-sulfonyl)piperidine-3-carboxylic acid

1-(propane-1-sulfonyl)piperidine-3-carboxylic acid

CAS No.:
702695-93-0
Catalog Number:
AG019MUE
Molecular Formula:
C9H17NO4S
Molecular Weight:
235.3006
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Product Description
Catalog Number:
AG019MUE
Chemical Name:
1-(propane-1-sulfonyl)piperidine-3-carboxylic acid
CAS Number:
702695-93-0
Molecular Formula:
C9H17NO4S
Molecular Weight:
235.3006
MDL Number:
MFCD03830448
IUPAC Name:
1-propylsulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C9H17NO4S/c1-2-6-15(13,14)10-5-3-4-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChI Key:
NCPDZJFHRBPXLI-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)N1CCCC(C1)C(=O)O
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.298g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties