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(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate

更新时间:2025-12-01 14:23:13

(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate结构式
(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate结构式
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常用名 (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate 英文名 (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
CAS号 40870-55-1 分子量 180.15700
密度 1.272g/cm3 沸点 275ºC at 760 mmHg
分子式 C9H8O4 熔点 N/A
MSDS N/A 闪点 118.9ºC

 名称

英文名 (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
英文别名 更多

 物理化学性质

密度 1.272g/cm3
沸点 275ºC at 760 mmHg
分子式 C9H8O4
分子量 180.15700
闪点 118.9ºC
精确质量 180.04200
PSA 60.44000
LogP 0.18390
InChIKey PPDXWBLLORUJMO-UHFFFAOYSA-N
SMILES CC(=O)OCC1=CC(=O)C=CC1=O
折射率 1.517

 合成线路

~83%

(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate结构式

(3,6-dioxocyclo...

40870-55-1

文献:Leermann, Timo; Block, Oliver; Podeschwa, Michael A. L.; Pfueller, Uwe; Altenbach, Hans-Josef Organic and Biomolecular Chemistry, 2010 , vol. 8, # 17 p. 3965 - 3974

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(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate结构式

(3,6-dioxocyclo...

40870-55-1

文献:Brack Helvetica Chimica Acta, 1947 , vol. 30, p. 1,5,8

 上下游产品

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 靶点实验

查看更多实验

实验名称:Antitumor efficacy against subcutaneously implanted B16 melanoma tumor in BDF1 hybrid...
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL743557
实验名称:Percent B16 melanoma growth inhibition at dose 20 mg/kg in mice
来源:ChEMBL
靶标:B16
External Id:CHEMBL648781
实验名称:Percent B16 melanoma growth inhibition at dose 4 mg/kg in mice
来源:ChEMBL
靶标:B16
External Id:CHEMBL648782
实验名称:Antitumor efficacy against subcutaneously implanted B16 melanoma tumor in BDF1 hybrid...
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL743556
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 英文别名

acetoxymethyl-[1,4]benzoquinone
(3,6-dioxocyclohexa-1,4-diene-1-yl)methyl acetate
2-(Hydroxymethyl)-p-benzoquinone acetate (ester)
p-Benzoquinone,2-(hydroxymethyl)-,acetate (ester)
2,5-Cyclohexadiene-1,4-dione,2-((acetyloxy)methyl)
Acetoxymethyl-[1,4]benzochinon
2-(Acetoxymethyl)-1,4-benzoquinone
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