Cas no 64853-55-0 (Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)-)
64853-55-0 structure
Product Name:Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)-
CAS No:64853-55-0
MF:C12H15NO3
MW:221.252403497696
CID:414016
PubChem ID:12385129
Update Time:2025-04-19
Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)-
- 1-(2,3,5,6-tetramethyl-4-nitrophenyl)ethanone
- 1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one
- 64853-55-0
- DTXSID10495701
-
- Inchi： 1S/C12H15NO3/c1-6-8(3)12(13(15)16)9(4)7(2)11(6)10(5)14/h1-5H3
- InChI Key： OPOAHJKJLBJAPK-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(C)=C(C)C(=C(C)C=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 221.10525
- Monoisotopic Mass: 221.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 281
- 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: 2.9
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)- 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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
64853-55-0 (Ethanone, 1-(2,3,5,6-tetramethyl-4-nitrophenyl)-) Related Products
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