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Home Carbonyls 3-[(Ethoxycarbonyl)amino]benzoic acid

3-[(Ethoxycarbonyl)amino]benzoic acid

CAS No.:
5180-76-7
Catalog Number:
AG00DIFF
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
95%
In Stock USA
United States
$84
- +
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$504
- +
Product Description
Catalog Number:
AG00DIFF
Chemical Name:
3-[(Ethoxycarbonyl)amino]benzoic acid
CAS Number:
5180-76-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD02223127
IUPAC Name:
3-(ethoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-4-7(6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13)
InChI Key:
ZLDHVJVKFNDXTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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