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Home Aminos Benzoic acid, 3-[(2-ethoxy-2-oxoethyl)amino]-

Benzoic acid, 3-[(2-ethoxy-2-oxoethyl)amino]-

CAS No.:
23218-94-2
Catalog Number:
AG002MK2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$64
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Product Description
Catalog Number:
AG002MK2
Chemical Name:
Benzoic acid, 3-[(2-ethoxy-2-oxoethyl)amino]-
CAS Number:
23218-94-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD01186043
IUPAC Name:
3-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
InChI:
InChI=1S/C11H13NO4/c1-2-16-10(13)7-12-9-5-3-4-8(6-9)11(14)15/h3-6,12H,2,7H2,1H3,(H,14,15)
InChI Key:
RBDOGNPBVBDZHY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1cccc(c1)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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