Cas no 36201-04-4 ( )
structure
Product Name:
CAS No:36201-04-4
MF:C18H18O
MW:250.334925174713
CID:921119
PubChem ID:6144991
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL15784370
- NSC405242
- 36201-04-4
- DTXSID60422082
- NSC-405242
- (E)-1,3-bis(4-methylphenyl)but-2-en-1-one
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- Inchi： 1S/C18H18O/c1-13-4-8-16(9-5-13)15(3)12-18(19)17-10-6-14(2)7-11-17/h4-12H,1-3H3/b15-12+
- InChI Key： PTZQHCRVBJAXLE-NTCAYCPXSA-N
- SMILES： O=C(/C=C(\C)/C1C=CC(C)=CC=1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 250.13584
- Monoisotopic Mass: 250.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Julia M. Yeomans Soft Matter, 2010,6, 703-704
36201-04-4 ( ) Related Products
- 614-47-1(trans-Chalcone)
- 495-45-4(1,3-Diphenyl-2-buten-1-one)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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