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Home Carboxes 3663-80-7
3663-80-7,MFCD00084888
Catalog No.:AA003DJM

3663-80-7 | 1,4-Benzodioxan-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
100g
98%
in stock  
$65.00   $46.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003DJM
Chemical Name:
1,4-Benzodioxan-2-carboxylic acid
CAS Number:
3663-80-7
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00084888
SMILES:
OC(=O)C1COc2c(O1)cccc2
Properties
Properties
 
BP:
347.2°C at 760 mmHg  
Form:
Solid  
MP:
126-130 °C(lit.)  
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  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.4  

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:3663-80-7 Molecular Formula|3663-80-7 MDL|3663-80-7 SMILES|3663-80-7 1,4-Benzodioxan-2-carboxylic acid