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16709-58-3 | 2H-1-Benzopyran-2-one, 4-(benzoyloxy)-
CAS No: 16709-58-3 Catalog No: AG001X4I MDL No:
Product Description
Catalog Number:
AG001X4I
Chemical Name:
2H-1-Benzopyran-2-one, 4-(benzoyloxy)-
CAS Number:
16709-58-3
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
IUPAC Name:
(2-oxochromen-4-yl) benzoate
InChI:
InChI=1S/C16H10O4/c17-15-10-14(12-8-4-5-9-13(12)19-15)20-16(18)11-6-2-1-3-7-11/h1-10H
InChI Key:
XJVHOURXXNKDMD-UHFFFAOYSA-N
SMILES:
O=c1cc(OC(=O)c2ccccc2)c2c(o1)cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.252g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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