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Home Other Building Blocks 3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid

3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid

CAS No.:
17057-07-7
Catalog Number:
AG00APDQ
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%(HPLC)
In Stock USA
United States
$110
- +
5g
>95%(HPLC)
In Stock USA
United States
$457
- +
Product Description
Catalog Number:
AG00APDQ
Chemical Name:
3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid
CAS Number:
17057-07-7
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD00022572
IUPAC Name:
3-(2,5-dioxopyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C11H7NO4/c13-9-4-5-10(14)12(9)8-3-1-2-7(6-8)11(15)16/h1-6H,(H,15,16)
InChI Key:
ZJGBFJBMTKEFNQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1cccc(c1)C(=O)O
EC Number:
241-118-4
NSC Number:
201626
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis, anticholinesterase activity and structure-activity relationships of m-Aminobenzoic acid derivatives. Bioorganic & medicinal chemistry letters 20030519
Design, synthesis, and biochemical evaluation of N-substituted maleimides as inhibitors of prostaglandin endoperoxide synthases. Journal of medicinal chemistry 19960412
Properties