Cas no 89444-94-0 (1-Butanone, 1,3-bis(2,4,6-trimethoxyphenyl)-)
89444-94-0 structure
Product Name:1-Butanone, 1,3-bis(2,4,6-trimethoxyphenyl)-
CAS No:89444-94-0
MF:C22H28O7
MW:404.453527450562
CID:600383
PubChem ID:53761344
Update Time:2025-04-19
1-Butanone, 1,3-bis(2,4,6-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1,3-bis(2,4,6-trimethoxyphenyl)-
- 1,3-bis(2,4,6-trimethoxyphenyl)butan-1-one
- SCHEMBL7198348
- 89444-94-0
- DTXSID50706469
-
- Inchi： 1S/C22H28O7/c1-13(21-17(26-4)9-14(24-2)10-18(21)27-5)8-16(23)22-19(28-6)11-15(25-3)12-20(22)29-7/h9-13H,8H2,1-7H3
- InChI Key： DICMVECOVGOJHA-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1C(C)CC(C1C(=CC(=CC=1OC)OC)OC)=O)OC)OC
Computed Properties
- Exact Mass: 404.184
- Monoisotopic Mass: 404.184
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 472
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 72.4?2
1-Butanone, 1,3-bis(2,4,6-trimethoxyphenyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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