Cas no 29063-50-1 (2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI))
29063-50-1 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI)
CAS No:29063-50-1
MF:C18H12O2
MW:260.286684989929
CID:290040
PubChem ID:186127
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI)
- 2,3-diphenylcyclohexa-2,5-diene-1,4-dione
- diphenylquinone
- SCHEMBL57764
- DTXSID00951669
- [1~1~,2~1~:2~2~,3~1~-Terphenyl]-2~3~,2~6~-dione
- 2,3-Diphenyl-[1,4]benzoquinone
- 29063-50-1
- 2,5-Cyclohexadiene-1,4-dione, diphenyl-
-
- 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(C(C2C=CC=CC=2)=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 260.08376
- Monoisotopic Mass: 260.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 416
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
29063-50-1 (2,5-Cyclohexadiene-1,4-dione,diphenyl- (9CI)) Related Products
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