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7510-54-5 | (3,5-dibenzoyloxyphenyl) benzoate
CAS No: 7510-54-5 Catalog No: AG005ECJ MDL No:
Product Description
Catalog Number:
AG005ECJ
Chemical Name:
(3,5-dibenzoyloxyphenyl) benzoate
CAS Number:
7510-54-5
Molecular Formula:
C27H18O6
Molecular Weight:
438.4282
IUPAC Name:
(3,5-dibenzoyloxyphenyl) benzoate
InChI:
InChI=1S/C27H18O6/c28-25(19-10-4-1-5-11-19)31-22-16-23(32-26(29)20-12-6-2-7-13-20)18-24(17-22)33-27(30)21-14-8-3-9-15-21/h1-18H
InChI Key:
JBAFJMXGERTTCC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cc(OC(=O)c2ccccc2)cc(c1)OC(=O)c1ccccc1
NSC Number:
405701
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.11g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.435g/mol
Monoisotopic Mass:
438.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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