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Home Sulfos 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid

3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid

CAS No.:
895651-88-4
Catalog Number:
AG01DWSW
Molecular Formula:
C16H10O6S
Molecular Weight:
330.3120
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Product Description
Catalog Number:
AG01DWSW
Chemical Name:
3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
CAS Number:
895651-88-4
Molecular Formula:
C16H10O6S
Molecular Weight:
330.3120
MDL Number:
MFCD06744945
IUPAC Name:
3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid
InChI:
InChI=1S/C16H10O6S/c17-15(18)10-6-7-13-11(8-10)9-14(16(19)22-13)23(20,21)12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChI Key:
YTSBFAKPBQURMK-UHFFFAOYSA-N
SMILES:
O=c1oc2ccc(cc2cc1S(=O)(=O)c1ccccc1)C(=O)O
Properties
Complexity:
623  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.02g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.31g/mol
Monoisotopic Mass:
330.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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