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54443-64-0 | 1,3-Benzenediol, 5-[2-[4-(acetyloxy)phenyl]ethenyl]-, diacetate
CAS No: 54443-64-0 Catalog No: AG01FG3U MDL No:
Product Description
Catalog Number:
AG01FG3U
Chemical Name:
1,3-Benzenediol, 5-[2-[4-(acetyloxy)phenyl]ethenyl]-, diacetate
CAS Number:
54443-64-0
IUPAC Name:
[4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
InChI:
InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3
InChI Key:
PDAYUJSOJIMKIS-UHFFFAOYSA-N
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 5-[2-(4-Acetyl-oxyphen-yl)ethen-yl]benzene-1,3-diyl diacetate. | Acta crystallographica. Section E, Structure reports online 20111101 |
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