(8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate结构式
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常用名 | (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate | 英文名 | (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate |
|---|---|---|---|---|
| CAS号 | 68454-15-9 | 分子量 | 276.24100 | |
| 密度 | 1.313 g/cm3 | 沸点 | 449.246ºC at 760 mmHg | |
| 分子式 | C14H12O6 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 201.937ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.313 g/cm3 |
|---|---|
| 沸点 | 449.246ºC at 760 mmHg |
| 分子式 | C14H12O6 |
| 分子量 | 276.24100 |
| 闪点 | 201.937ºC |
| 精确质量 | 276.06300 |
| PSA | 82.81000 |
| LogP | 1.95200 |
| InChIKey | BENRIKOGQFXSRY-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~98%
(8-acetyloxy-4-... 68454-15-9 |
| 文献:Kumar, Sarvesh; Singh, Brajendra K.; Kalra, Neerja; Kumar, Vineet; Kumar, Ajit; Prasad, Ashok K.; Raj, Hanumantharao G.; Parmar, Virinder S.; Ghosh, Balaram Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 5 p. 1605 - 1613 |
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~%
(8-acetyloxy-4-... 68454-15-9 |
| 文献:Sharma; Janardhan Reddy; Sree Lakshmi; Radha Krishna Tetrahedron Letters, 2005 , vol. 46, # 36 p. 6119 - 6121 |
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~%
(8-acetyloxy-4-... 68454-15-9 |
| 文献:Sharma; Janardhan Reddy; Sree Lakshmi; Radha Krishna Tetrahedron Letters, 2005 , vol. 46, # 36 p. 6119 - 6121 |
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~%
(8-acetyloxy-4-... 68454-15-9 |
| 文献:Wittenberg Journal fuer Praktische Chemie (Leipzig), 1882 , vol. <2> 26, p. 69 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 4 | |
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| 下游产品 1 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Inhibition of rat liver microsomal CRTAase-mediated inhibition of cytosolic glutathio...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL1030711
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实验名称:The compound was evaluated for in Vitro binding of AFB1 to DNA in rat liver microsome...
来源:ChEMBL
靶标:Aflatoxin B1 aldehyde reductase member 3
External Id:CHEMBL638658
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实验名称:Increase in NO levels in citreated human platelet rich plasma assessed as enhancement...
来源:ChEMBL
靶标:Platelet
External Id:CHEMBL1030713
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实验名称:The compound was evaluated for in Vitro binding of AFB1 to DNA in rat liver microsome...
来源:ChEMBL
靶标:Aflatoxin B1 aldehyde reductase member 3
External Id:CHEMBL638659
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实验名称:Inhibition of rat liver microsomal CRTAase catalyzed activation of NADPH cytochrome C...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL1030712
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实验名称:The compound was evaluated for in Vitro binding of AFB1 to DNA in rat liver microsome...
来源:ChEMBL
靶标:Aflatoxin B1 aldehyde reductase member 3
External Id:CHEMBL638660
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:Effect on TAase activity assessed as inhibition of GST in liver microsome at 50 uM
来源:ChEMBL
靶标:N/A
External Id:CHEMBL887260
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实验名称:Effect of compound on AFB1-induced micronuclei formation in rat bone marrow cells (Ac...
来源:ChEMBL
靶标:Rattus norvegicus
External Id:CHEMBL797455
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate |
| 7,8-diacetoxy-4-methylcoumarin |
| 4-methyl-7,8-diacetyloxycoumarin |
| 7,8-Diacetoxy-4-methyl-cumarin |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 68454-15-9的极性表面积PSA是多少? |
| A: 68454-15-9极性表面积PSA为82.81000。 |
| Q: 68454-15-9的中文名称是什么? |
| A: 68454-15-9的中文名称为68454-15-9。 |
| Q: 68454-15-9有哪些英文别名? |
| A: 68454-15-9英文别名有:4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate、 7,8-diacetoxy-4-methylcoumarin、 4-methyl-7,8-diacetyloxycoumarin、 7,8-Diacetoxy-4-methyl-cumarin。 |
| Q: 68454-15-9的上游原料有哪些? |
| A: 68454-15-9相关上游原料(CAS):2107-77-9;108-24-7;87-66-1;75-36-5。 |
| Q: 68454-15-9的下游产品有哪些? |
| A: 68454-15-9相关下游产品(CAS):2107-77-9。 |
| Q: 68454-15-9的InChIKey是什么? |
| A: 68454-15-9InChIKey为BENRIKOGQFXSRY-UHFFFAOYSA-N。 |
| Q: 68454-15-9的分子式是什么? |
| A: 68454-15-9分子式为C14H12O6。 |
| Q: 68454-15-9的沸点是多少? |
| A: 68454-15-9沸点为449.246ºC at 760 mmHg。 |
| Q: 68454-15-9的LogP(油水分配系数)是多少? |
| A: 68454-15-9LogP(油水分配系数)为1.95200。 |
| Q: 68454-15-9的SMILES表达式是什么? |
| A: 68454-15-9SMILES表达式为CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O。 |