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Home Aminos 3-(2,2-Dimethylpropionylamino)benzoic acid

3-(2,2-Dimethylpropionylamino)benzoic acid

CAS No.:
56619-96-6
Catalog Number:
AG00EE0D
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$58
- +
250mg
95%
In Stock USA
United States
$114
- +
1g
95%
In Stock USA
United States
$227
- +
5g
95%
In Stock USA
United States
$681
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10g
95%
In Stock USA
United States
$1225
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Product Description
Catalog Number:
AG00EE0D
Chemical Name:
3-(2,2-Dimethylpropionylamino)benzoic acid
CAS Number:
56619-96-6
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00095905
IUPAC Name:
3-(2,2-dimethylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)11(16)13-9-6-4-5-8(7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key:
HGYDTYONFLKGIQ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1cccc(c1)C(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties