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181425-91-2,MFCD00239424
Catalog No.:AA0022S7

181425-91-2 | Diethyl 5-(hydroxymethyl)isophthalate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$75.00   $52.00
- +
1g
98%
in stock  
$136.00   $95.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA0022S7
Chemical Name:
Diethyl 5-(hydroxymethyl)isophthalate
CAS Number:
181425-91-2
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD00239424
SMILES:
CCOC(=O)c1cc(CO)cc(c1)C(=O)OCC
Properties
Properties
 
Form:
Solid  
MP:
82-85℃(lit.)  

Computed Properties
 
Complexity:
263  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
1.5  

Literature

Title: Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C.

Journal: Journal of medicinal chemistry 20090709

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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SDS
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