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137790-51-3 | Ethanone, 1-[2-(benzoyloxy)-4,6-bis(phenylmethoxy)phenyl]-
CAS No: 137790-51-3 Catalog No: AG0013UO MDL No:
Product Description
Catalog Number:
AG0013UO
Chemical Name:
Ethanone, 1-[2-(benzoyloxy)-4,6-bis(phenylmethoxy)phenyl]-
CAS Number:
137790-51-3
Molecular Formula:
C29H24O5
Molecular Weight:
452.4979
IUPAC Name:
[2-acetyl-3,5-bis(phenylmethoxy)phenyl] benzoate
InChI:
InChI=1S/C29H24O5/c1-21(30)28-26(33-20-23-13-7-3-8-14-23)17-25(32-19-22-11-5-2-6-12-22)18-27(28)34-29(31)24-15-9-4-10-16-24/h2-18H,19-20H2,1H3
InChI Key:
KFJGEGBDEGHMTR-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(OCc2ccccc2)cc(cc1OC(=O)c1ccccc1)OCc1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.162g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.506g/mol
Monoisotopic Mass:
452.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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