9013-34-7 Purity
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Specification
The molecular formula is C10H12O4.
The molecular weight is 196.20 g/mol.
The IUPAC name is 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone.
The InChI is InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3.
The InChIKey is FBUBVLUPUDBFME-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=C(C=C(C=C1OC)OC)O.
The CAS number is 90-24-4.
The molecular weight is 196.20 g/mol according to PubChem.
The XLogP3-AA value is 1.7.
2-Hydroxy-4,6-dimethoxyacetophenone has 4 hydrogen bond acceptor counts.
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 11, p. 2098 - 2102
[2] Patent: KR2018/64130, 2018, A,
Reference: [1] Synthesis, 1980, # 11, p. 874 - 875
Reference: [1] Synthesis, 1982, # 3, p. 221 - 222
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[European Journal of Medicinal Chemistry, 2020, vol. 193]
[2]Narasimhachari; Seshadri
[Proceedings - Indian Academy of Sciences, Section A, 1950, # 32, p. 17,21, 22]
Reference: [1]Lin, An-Shen; Nakagawa-Goto, Kyoko; Chang, Fang-Rong; Yu, Donglei; Morris-Natschke, Susan L.; Wu, Chin-Chung; Chen, Shu-Li; Wu, Yang-Chang; Lee, Kuo-Hsiung
[Journal of Medicinal Chemistry, 2007, vol. 50, # 16, p. 3921 - 3927]
[2]Wei, Mingming; Xie, Maodun; Zhang, Zhen; Wei, Yujiao; Zhang, Juan; Pan, Hongli; Li, Benlong; Wang, Jingjing; Song, Yang; Chong, Chuangke; Zhao, Rui; Wang, Jiefu; Yu, Li; Yang, Guang; Yang, Cheng
[European Journal of Medicinal Chemistry, 2020, vol. 206]
[3]Mahal; Venkataraman
[Journal of the Chemical Society, 1936, p. 569]
[4]Mizuno, Mizuo; Kojima, Hiroyuki; Tanaka, Toshijuki; Iinuma, Munekazu; Kimura, Rie; et al.
[Phytochemistry, 1987, vol. 26, # 7, p. 2071 - 2074]
[5]Sekizaki, Haruo
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Reference: [1]Mizota, Isao; Taniguchi, Kana; Shimizu, Makoto
[Heterocycles, 2016, vol. 93, # 1, p. 310 - 322]
[2]Doporto et al.
[Journal of the Chemical Society, 1955, p. 4249,4253]
* For details of the synthesis route, please refer to the original source to ensure accuracy.