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89263-93-4 | 1,3-Propanedione, 1-[5-(benzoyloxy)-2-hydroxyphenyl]-3-phenyl-
CAS No: 89263-93-4 Catalog No: AG0042HY MDL No:
Product Description
Catalog Number:
AG0042HY
Chemical Name:
1,3-Propanedione, 1-[5-(benzoyloxy)-2-hydroxyphenyl]-3-phenyl-
CAS Number:
89263-93-4
Molecular Formula:
C22H16O5
Molecular Weight:
360.3594
IUPAC Name:
[4-hydroxy-3-(3-oxo-3-phenylpropanoyl)phenyl] benzoate
InChI:
InChI=1S/C22H16O5/c23-19-12-11-17(27-22(26)16-9-5-2-6-10-16)13-18(19)21(25)14-20(24)15-7-3-1-4-8-15/h1-13,23H,14H2
InChI Key:
VZILFEMPHYFQJI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(=O)CC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.365g/mol
Monoisotopic Mass:
360.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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