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30596-06-6 | Acetic acid, 2,2'-[sulfonylbis(4,1-phenyleneoxy)]bis-
CAS No: 30596-06-6 Catalog No: AG0030MQ MDL No:
Product Description
Catalog Number:
AG0030MQ
Chemical Name:
Acetic acid, 2,2'-[sulfonylbis(4,1-phenyleneoxy)]bis-
CAS Number:
30596-06-6
Molecular Formula:
C16H14O8S
Molecular Weight:
366.3426
IUPAC Name:
2-[4-[4-(carboxymethoxy)phenyl]sulfonylphenoxy]acetic acid
InChI:
InChI=1S/C16H14O8S/c17-15(18)9-23-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)24-10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChI Key:
MWTGMPRNUBZHCH-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC(=O)O
NSC Number:
39645
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.041g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.34g/mol
Monoisotopic Mass:
366.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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 |
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