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Home Carboxes 4442-53-9
4442-53-9,MFCD00239415
Catalog No.:AA003FFX

4442-53-9 | 1,4-Benzodioxan-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
10g
97%
in stock  
$21.00   $15.00
- +
25g
97%
in stock  
$48.00   $34.00
- +
100g
97%
in stock  
$187.00   $131.00
- +
500g
98%
in stock  
$926.00   $648.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003FFX
Chemical Name:
1,4-Benzodioxan-5-carboxylic acid
CAS Number:
4442-53-9
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00239415
SMILES:
OC(=O)c1cccc2c1OCCO2
Properties
Properties
 
BP:
334.1°C at 760 mmHg  
Form:
Solid  
MP:
202 - 204 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.2  

Literature

Title: Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain.

Journal: PloS one 20100101

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SDS
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Tags:4442-53-9 Molecular Formula|4442-53-9 MDL|4442-53-9 SMILES|4442-53-9 1,4-Benzodioxan-5-carboxylic acid