Cas no 3145-16-2 (1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone)
3145-16-2 structure
Product Name:1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone
CAS No:3145-16-2
MF:C12H14O5
MW:238.236564159393
CID:2821712
PubChem ID:71360172
Update Time:2025-04-21
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-Acetyl-2,4,6-trihydroxyphenyl)butan-1-one
- DTXSID00783982
- 3145-16-2
- 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone
-
- Inchi： 1S/C12H14O5/c1-3-4-7(14)11-9(16)5-8(15)10(6(2)13)12(11)17/h5,15-17H,3-4H2,1-2H3
- InChI Key： DUESBBVBEULWNB-UHFFFAOYSA-N
- SMILES： CCCC(C1C(O)=C(C(=O)C)C(O)=CC=1O)=O
Computed Properties
- Exact Mass: 238.08412354Da
- Monoisotopic Mass: 238.08412354Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 301
- 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: 2.2
- Topological Polar Surface Area: 94.8?2
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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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
3145-16-2 (1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1-butanone) Related Products
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