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446827-33-4 | [2-(Biphenyl-4-yloxy)-acetylamino]-acetic acid
CAS No: 446827-33-4 Catalog No: AG01FA6G MDL No:
Product Description
Catalog Number:
AG01FA6G
Chemical Name:
[2-(Biphenyl-4-yloxy)-acetylamino]-acetic acid
CAS Number:
446827-33-4
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
2-[[2-(4-phenylphenoxy)acetyl]amino]acetic acid
InChI:
InChI=1S/C16H15NO4/c18-15(17-10-16(19)20)11-21-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChI Key:
WKUOHGZFHMLFFC-UHFFFAOYSA-N
SMILES:
O=C(COc1ccc(cc1)c1ccccc1)NCC(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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