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

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

CAS No.:
328549-52-6
Catalog Number:
AG00C8YP
Molecular Formula:
C13H7N3O4
Molecular Weight:
269.2124
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00C8YP
Chemical Name:
1,3-Dioxo-2-pyrimidin-2-ylisoindoline-5-carboxylic acid
CAS Number:
328549-52-6
Molecular Formula:
C13H7N3O4
Molecular Weight:
269.2124
MDL Number:
MFCD00423917
IUPAC Name:
1,3-dioxo-2-pyrimidin-2-ylisoindole-5-carboxylic acid
InChI:
InChI=1S/C13H7N3O4/c17-10-8-3-2-7(12(19)20)6-9(8)11(18)16(10)13-14-4-1-5-15-13/h1-6H,(H,19,20)
InChI Key:
IUHFHKXIELVUJV-UHFFFAOYSA-N
SMILES:
O=C1N(c2ncccn2)C(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.044g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.216g/mol
Monoisotopic Mass:
269.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^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
Properties