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14210-97-0 | 1,4-Benzenediol, 1,4-dibenzoate
CAS No: 14210-97-0 Catalog No: AG001HSR MDL No:
Product Description
Catalog Number:
AG001HSR
Chemical Name:
1,4-Benzenediol, 1,4-dibenzoate
CAS Number:
14210-97-0
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
IUPAC Name:
(4-benzoyloxyphenyl) benzoate
InChI:
InChI=1S/C20H14O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-14H
InChI Key:
KOAWERFKPZHNNY-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccc(cc1)OC(=O)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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