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Home Other Building Blocks 2-Hydroxy-4-pyrrol-1-yl-benzoic acid

2-Hydroxy-4-pyrrol-1-yl-benzoic acid

CAS No.:
35580-52-0
Catalog Number:
AG019X03
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG019X03
Chemical Name:
2-Hydroxy-4-pyrrol-1-yl-benzoic acid
CAS Number:
35580-52-0
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00454306
IUPAC Name:
2-hydroxy-4-pyrrol-1-ylbenzoic acid
InChI:
InChI=1S/C11H9NO3/c13-10-7-8(12-5-1-2-6-12)3-4-9(10)11(14)15/h1-7,13H,(H,14,15)
InChI Key:
QRYBHHIRDQQZFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1O)n1cccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. Journal of medicinal chemistry 20081225
Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors. Bioorganic & medicinal chemistry 20080315
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
Properties