Home Sulfos 5-(piperidine-1-sulfonyl)furan-2-carboxylic acid

5-(piperidine-1-sulfonyl)furan-2-carboxylic acid

CAS No.:
933735-49-0
Catalog Number:
AG019MJV
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
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Product Description
Catalog Number:
AG019MJV
Chemical Name:
5-(piperidine-1-sulfonyl)furan-2-carboxylic acid
CAS Number:
933735-49-0
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
MDL Number:
MFCD10686901
IUPAC Name:
5-piperidin-1-ylsulfonylfuran-2-carboxylic acid
InChI:
InChI=1S/C10H13NO5S/c12-10(13)8-4-5-9(16-8)17(14,15)11-6-2-1-3-7-11/h4-5H,1-3,6-7H2,(H,12,13)
InChI Key:
XVNZIFBTLPDVRQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.276g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties