Home Sulfos 1-(1H-Imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid

1-(1H-Imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid

CAS No.:
899703-25-4
Catalog Number:
AG00GVJL
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1136
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Product Description
Catalog Number:
AG00GVJL
Chemical Name:
1-(1H-Imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid
CAS Number:
899703-25-4
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
MDL Number:
MFCD12027231
IUPAC Name:
1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C9H13N3O4S/c13-9(14)7-2-1-3-12(5-7)17(15,16)8-4-10-6-11-8/h4,6-7H,1-3,5H2,(H,10,11)(H,13,14)
InChI Key:
VHXSXLGCRWLSBA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)c1c[nH]cn1
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties