Home Sulfos 1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}piperidine-4-carboxylic acid

1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}piperidine-4-carboxylic acid

CAS No.:
1087784-28-8
Catalog Number:
AG019MQE
Molecular Formula:
C13H17NO7S
Molecular Weight:
331.3416
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Product Description
Catalog Number:
AG019MQE
Chemical Name:
1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}piperidine-4-carboxylic acid
CAS Number:
1087784-28-8
Molecular Formula:
C13H17NO7S
Molecular Weight:
331.3416
MDL Number:
MFCD11099467
IUPAC Name:
1-(5-ethoxycarbonylfuran-2-yl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C13H17NO7S/c1-2-20-13(17)10-3-4-11(21-10)22(18,19)14-7-5-9(6-8-14)12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChI Key:
PPRPMPFQBMZZFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)S(=O)(=O)N1CCC(CC1)C(=O)O
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.073g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
331.339g/mol
Monoisotopic Mass:
331.073g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties