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Home Carbonyls 4-[(Aminocarbonyl)amino]benzoic acid

4-[(Aminocarbonyl)amino]benzoic acid

CAS No.:
6306-25-8
Catalog Number:
AG00EKKS
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$188
- +
1g
96%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00EKKS
Chemical Name:
4-[(Aminocarbonyl)amino]benzoic acid
CAS Number:
6306-25-8
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00025432
IUPAC Name:
4-(carbamoylamino)benzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChI Key:
HOVRQUHNZHBKKJ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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 and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties