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4-Carboxyphthalimide

CAS No.:
20262-55-9
Catalog Number:
AG0028C3
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$244
- +
5g
97%
In Stock USA
United States
$750
- +
10g
97%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG0028C3
Chemical Name:
4-Carboxyphthalimide
CAS Number:
20262-55-9
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD00462255
IUPAC Name:
1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C9H5NO4/c11-7-5-2-1-4(9(13)14)3-6(5)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)
InChI Key:
ARRQNZZBVOIEQQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(cc2)C(=O)O
NSC Number:
87998
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm. European journal of medicinal chemistry 20080301
2,3-Dihydro-1,3-dioxo-1H-isoindole-5-carboxylic acid derivatives: a novel class of small molecule heparanase inhibitors. Bioorganic & medicinal chemistry letters 20040621
Properties