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25871-69-6 | Benzene-1,3,5-triyltris(phenylmethanone)
CAS No: 25871-69-6 Catalog No: AG003DGE MDL No:
Product Description
Catalog Number:
AG003DGE
Chemical Name:
Benzene-1,3,5-triyltris(phenylmethanone)
CAS Number:
25871-69-6
Molecular Formula:
C27H18O3
Molecular Weight:
390.4300
IUPAC Name:
(3,5-dibenzoylphenyl)-phenylmethanone
InChI:
InChI=1S/C27H18O3/c28-25(19-10-4-1-5-11-19)22-16-23(26(29)20-12-6-2-7-13-20)18-24(17-22)27(30)21-14-8-3-9-15-21/h1-18H
InChI Key:
FDSRSUAVHPFWGT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.438g/mol
Monoisotopic Mass:
390.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| One-pot synthesis of 1,3,5-tribenzoylbenzenes by three consecutive Michael addition reactions of 1-phenyl-2-propyn-1-ones in pressurized hot water in the absence of added catalysts. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110110 |
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