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17354-62-0 | Benzoic acid, 2,2'-[1,2-ethanediylbis(oxy)]bis-
CAS No: 17354-62-0 Catalog No: AG001Z0C MDL No:
Product Description
Catalog Number:
AG001Z0C
Chemical Name:
Benzoic acid, 2,2'-[1,2-ethanediylbis(oxy)]bis-
CAS Number:
17354-62-0
Molecular Formula:
C16H14O6
Molecular Weight:
302.2788
IUPAC Name:
2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid
InChI:
InChI=1S/C16H14O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChI Key:
XAIPIJFEACIWEQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCCOc1ccccc1C(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.282g/mol
Monoisotopic Mass:
302.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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 |
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