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Home Sulfos 4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid

4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid

CAS No.:
869464-92-6
Catalog Number:
AG019ONN
Molecular Formula:
C9H12N2O5S
Molecular Weight:
260.2670
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Product Description
Catalog Number:
AG019ONN
Chemical Name:
4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
869464-92-6
Molecular Formula:
C9H12N2O5S
Molecular Weight:
260.2670
MDL Number:
MFCD07345594
IUPAC Name:
4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C9H12N2O5S/c12-9(13)8-5-7(6-10-8)17(14,15)11-1-3-16-4-2-11/h5-6,10H,1-4H2,(H,12,13)
InChI Key:
ZAYUQSLKLNDJBJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties