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17057-04-4,MFCD00458571
Catalog No.:AA007U9K

17057-04-4 | 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$12.00   $8.00
- +
1g
97%
in stock  
$35.00   $25.00
- +
5g
97%
in stock  
$77.00   $54.00
- +
10g
97%
in stock  
$129.00   $90.00
- +
25g
97%
in stock  
$207.00   $145.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007U9K
Chemical Name:
4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
CAS Number:
17057-04-4
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD00458571
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
348  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Literature

Title: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure.

Journal: Acta crystallographica. Section C, Crystal structure communications 20110201

Title: Docetaxel immunonanocarriers as targeted delivery systems for HER 2-positive tumor cells: preparation, characterization, and cytotoxicity studies.

Journal: International journal of nanomedicine 20110101

Title: Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

Journal: Journal of medicinal chemistry 20081225

Title: Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

Journal: Bioorganic & medicinal chemistry 20080315

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SDS
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Tags:17057-04-4 Molecular Formula|17057-04-4 MDL|17057-04-4 SMILES|17057-04-4 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Catalog No.: AA007U9K
17057-04-4,MFCD00458571
17057-04-4 | 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Pack Size： 250mg
Purity： 97%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 97%
in stock
$35.00 $25.00
Pack Size： 5g
Purity： 97%
in stock
$77.00 $54.00
Pack Size： 10g
Purity： 97%
in stock
$129.00 $90.00
Pack Size： 25g
Purity： 97%
in stock
$207.00 $145.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007U9K
Chemical Name: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
CAS Number: 17057-04-4
Molecular Formula: C11H7NO4
Molecular Weight: 217.1776
MDL Number: MFCD00458571
SMILES: O=C1C=CC(=O)N1c1ccc(cc1)C(=O)O
Properties
Complexity: 348  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Literature fold

Title: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure.

Journal: Acta crystallographica. Section C, Crystal structure communications20110201

Title: Docetaxel immunonanocarriers as targeted delivery systems for HER 2-positive tumor cells: preparation, characterization, and cytotoxicity studies.

Journal: International journal of nanomedicine20110101

Title: Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

Journal: Journal of medicinal chemistry20081225

Title: Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

Journal: Bioorganic & medicinal chemistry20080315

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