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568567-08-8,MFCD03988553
Catalog No.:AA019IYU

568567-08-8 | 3-{4-[(2,5-dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid

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Technical Information
Catalog Number:
AA019IYU
Chemical Name:
3-{4-[(2,5-dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid
CAS Number:
568567-08-8
Molecular Formula:
C18H18O6S
Molecular Weight:
362.3969
MDL Number:
MFCD03988553
SMILES:
COc1cc(C=CC(=O)O)ccc1OS(=O)(=O)c1cc(C)ccc1C
Properties
Computed Properties
 
Complexity:
579  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
3.7  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:568567-08-8 Molecular Formula|568567-08-8 MDL|568567-08-8 SMILES|568567-08-8 3-{4-[(2,5-dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid