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Home Carboxys 1,3-Dioxo-2-pyridin-2-ylisoindoline-5-carboxylic acid

1,3-Dioxo-2-pyridin-2-ylisoindoline-5-carboxylic acid

CAS No.:
186384-46-3
Catalog Number:
AG007SC6
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG007SC6
Chemical Name:
1,3-Dioxo-2-pyridin-2-ylisoindoline-5-carboxylic acid
CAS Number:
186384-46-3
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD00427537
IUPAC Name:
1,3-dioxo-2-pyridin-2-ylisoindole-5-carboxylic acid
InChI:
InChI=1S/C14H8N2O4/c17-12-9-5-4-8(14(19)20)7-10(9)13(18)16(12)11-3-1-2-6-15-11/h1-7H,(H,19,20)
InChI Key:
LNWAYWWOYHEHJX-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccn2)C(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties