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23284-85-7 | Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-
CAS No: 23284-85-7 Catalog No: AG002MRH MDL No:MFCD00779527
Product Description
Catalog Number:
AG002MRH
Chemical Name:
Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-
CAS Number:
23284-85-7
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00779527
IUPAC Name:
4-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
InChI:
InChI=1S/C11H13NO4/c1-2-16-10(13)7-12-9-5-3-8(4-6-9)11(14)15/h3-6,12H,2,7H2,1H3,(H,14,15)
InChI Key:
XKROMXNHACRNPA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1ccc(cc1)C(=O)O
Properties
Complexity:
246
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 |
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