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29063-50-1 | 2,5-Cyclohexadiene-1,4-dione, diphenyl- (9CI)
CAS No: 29063-50-1 Catalog No: AG002X8L MDL No:
Product Description
Catalog Number:
AG002X8L
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, diphenyl- (9CI)
CAS Number:
29063-50-1
Molecular Formula:
C18H12O2
Molecular Weight:
260.2867
IUPAC Name:
2,3-diphenylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H12O2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H
InChI Key:
MVWPVABZQQJTPL-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.292g/mol
Monoisotopic Mass:
260.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Antioxidant and cyclooxygenase-2-inhibiting activity of 4,4'-biphenol, 2,2'-biphenol and phenol. | Anticancer research 20090601 |
| Conformational, concomitant polymorphs of 4,4-diphenyl-2,5-cyclohexadienone: conformation and lattice energy compensation in the kinetic and thermodynamic forms. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060503 |
| Catalytic activation of copper (II) salts on the reaction of peroxynitrite with propofol in alkaline medium. | Nitric oxide : biology and chemistry 20050601 |
| Investigation of the reaction of peroxynitrite with propofol at acid pH: predominant production of oxidized, nitrated, and halogenated derivatives. | Nitric oxide : biology and chemistry 20030501 |
| Blennione, a green aminobenzoquinone derivative from Lactarius blennius. | Journal of natural products 20020501 |
| Inhibitors of human and rat testes microsomal 17beta-hydroxysteroid dehydrogenase (17beta-HSD) as potential agents for prostatic cancer. | Journal of enzyme inhibition 20010101 |
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