7559-81-1,MFCD00053592
Catalog No.:AA005AOW

7559-81-1 | 2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$88.00   $62.00
- +
5g
97%
in stock  
$270.00   $189.00
- +
10g
97%
in stock  
$529.00 $370.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005AOW
Chemical Name:
2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
CAS Number:
7559-81-1
Molecular Formula:
C6H5ClO3
Molecular Weight:
160.5551
MDL Number:
MFCD00053592
SMILES:
Oc1coc(cc1=O)CCl
Properties
Properties
 
BP:
321.9±42.0 °C(Predicted)  
Form:
Solid  
MP:
164-165°C  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Literature

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry 20110127

Title: A study of cytotoxicity of novel chlorokojic acid derivatives with their antimicrobial and antiviral activities.

Journal: European journal of medicinal chemistry 20100901

Title: Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives.

Journal: European journal of medicinal chemistry 20090501

Title: 5-Hydr-oxy-2-methyl-4H-pyran-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

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Tags:7559-81-1 Molecular Formula|7559-81-1 MDL|7559-81-1 SMILES|7559-81-1 2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
Catalog No.: AA005AOW
7559-81-1,MFCD00053592
7559-81-1 | 2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
Pack Size: 1g
Purity: 97%
in stock
$88.00 $62.00
Pack Size: 5g
Purity: 97%
in stock
$270.00 $189.00
Pack Size: 10g
Purity: 97%
in stock
$529.00 $370.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA005AOW
Chemical Name: 2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
CAS Number: 7559-81-1
Molecular Formula: C6H5ClO3
Molecular Weight: 160.5551
MDL Number: MFCD00053592
SMILES: Oc1coc(cc1=O)CCl
Properties
BP: 321.9±42.0 °C(Predicted)  
Form: Solid  
MP: 164-165°C  
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Literature fold

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry20110127

Title: A study of cytotoxicity of novel chlorokojic acid derivatives with their antimicrobial and antiviral activities.

Journal: European journal of medicinal chemistry20100901

Title: Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives.

Journal: European journal of medicinal chemistry20090501

Title: 5-Hydr-oxy-2-methyl-4H-pyran-4-one.

Journal: Acta crystallographica. Section E, Structure reports online20090201

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