Cas no 69298-85-7 (2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl-)
69298-85-7 structure
Product Name:2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl-
CAS No:69298-85-7
MF:C11H14O4
MW:210.226463794708
CID:391950
PubChem ID:11183418
Update Time:2025-04-19
2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl-
- 2-acetyl-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one
- 69298-85-7
- SCHEMBL13034001
- DTXSID00457959
- CHEMBL190623
-
- Inchi： 1S/C11H14O4/c1-5-8(13)7(6(2)12)10(15)11(3,4)9(5)14/h13-14H,1-4H3
- InChI Key： FNQHCLOXMUUTGP-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(=C(C(C)=O)C(C1(C)C)=O)O
Computed Properties
- Exact Mass: 210.08920892g/mol
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 410
- 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: 1.1
- Topological Polar Surface Area: 74.6?2
2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl- Related Literature
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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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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