Home Sulfos 2-(4-methoxybenzenesulfonamido)propanoic acid

2-(4-methoxybenzenesulfonamido)propanoic acid

CAS No.:
85622-69-1
Catalog Number:
AG00IP3I
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
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Product Description
Catalog Number:
AG00IP3I
Chemical Name:
2-(4-methoxybenzenesulfonamido)propanoic acid
CAS Number:
85622-69-1
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
MDL Number:
MFCD00664347
IUPAC Name:
2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
XTCIPBHRVYICGT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NC(C(=O)O)C
NSC Number:
627004
Properties
Complexity:
353  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
259.276g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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