2-[2-(4-methoxyphenyl)-4-oxo-chromen-8-yl]acetic acid结构式
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常用名 | 2-[2-(4-methoxyphenyl)-4-oxo-chromen-8-yl]acetic acid | 英文名 | 2-[2-(4-methoxyphenyl)-4-oxo-chromen-8-yl]acetic acid |
|---|---|---|---|---|
| CAS号 | 87627-10-9 | 分子量 | 310.30100 | |
| 密度 | 1.344g/cm3 | 沸点 | 534.9ºC at 760 mmHg | |
| 分子式 | C18H14O5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 198.9ºC |
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 | 2-[2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetic acid |
|---|---|
| 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 | 1.344g/cm3 |
|---|---|
| 沸点 | 534.9ºC at 760 mmHg |
| 分子式 | C18H14O5 |
| 分子量 | 310.30100 |
| 闪点 | 198.9ºC |
| 精确质量 | 310.08400 |
| PSA | 76.74000 |
| LogP | 3.09570 |
| InChIKey | BSMWETPLQKJEMF-UHFFFAOYSA-N |
| SMILES | COc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1 |
| 折射率 | 1.629 |
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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~87%
2-[2-(4-methoxy... 87627-10-9 |
| 文献:Atassi; Briet; Berthelon; Collonges European Journal of Medicinal Chemistry, 1985 , vol. 20, # 5 p. 393 - 402 |
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~49%
2-[2-(4-methoxy... 87627-10-9 |
| 文献:Aitken, R. Alan; Bibby, Michael C.; Double, John A.; Laws, Andrea L.; Ritchie, Robert B.; Wilson, David W. J. Archiv der Pharmazie, 1997 , vol. 330, # 7 p. 215 - 224 |
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~%
2-[2-(4-methoxy... 87627-10-9 |
| 文献:Atassi; Briet; Berthelon; Collonges European Journal of Medicinal Chemistry, 1985 , vol. 20, # 5 p. 393 - 402 |
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 2 | |
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| 下游产品 0 | |
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:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:HTS for Bacterial rRNA inhibitors Measured in Microorganism-Based System Using Plate ...
来源:Broad Institute
靶标:N/A
External Id:7056-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based biochemical high throughput primary assay to identify inhibitors o...
来源:The Scripps Research Institute Molecular Screening Center
靶标:Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens]
External Id:PLCB3_INH_QFRET_1536_1X%INH PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:ADAM10 [Homo sapiens]
External Id:ADAM10_INH_QFRET_1536_1X%INH PRUN
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify inh...
来源:The Scripps Research Institute Molecular Screening Center
靶标:COUP transcription factor 2 isoform a [Homo sapiens]
External Id:COUPTFII_INH_LUMI_1536_1X%INH PRUN
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实验名称:Identification of agents that induce E-selectin on human endothelial cells Measured i...
来源:Broad Institute
靶标:E-Selectin
External Id:2152-01_Activator_SinglePoint_HTS_Activity
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:TRFRET-based cell-based primary high throughput screening assay to identify inhibitor...
来源:The Scripps Research Institute Molecular Screening Center
靶标:major prion protein preproprotein [Homo sapiens]
External Id:PRPC_INH_TRFRET_1536_1X%INH PRUN
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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。
| 4H-1-Benzopyran-8-acetic acid,2-(4-methoxyphenyl)-4-oxo |
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: 87627-10-9的英文名称是什么? |
| A: 87627-10-9英文名称为2-[2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetic acid。 |
| Q: 87627-10-9的极性表面积PSA是多少? |
| A: 87627-10-9极性表面积PSA为76.74000。 |
| Q: 87627-10-9的沸点是多少? |
| A: 87627-10-9沸点为534.9ºC at 760 mmHg。 |
| Q: 87627-10-9的InChIKey是什么? |
| A: 87627-10-9InChIKey为BSMWETPLQKJEMF-UHFFFAOYSA-N。 |
| Q: 87627-10-9的分子式是什么? |
| A: 87627-10-9分子式为C18H14O5。 |
| Q: 87627-10-9的CAS号是多少? |
| A: 87627-10-9CAS号为87627-10-9。 |
| Q: 87627-10-9的分子量是多少? |
| A: 87627-10-9分子量为310.30100。 |
| Q: 87627-10-9的上游原料有哪些? |
| A: 87627-10-9相关上游原料(CAS):87627-09-6;87165-56-8。 |
| Q: 87627-10-9的LogP(油水分配系数)是多少? |
| A: 87627-10-9LogP(油水分配系数)为3.09570。 |
| Q: 87627-10-9有哪些英文别名? |
| A: 87627-10-9英文别名有:4H-1-Benzopyran-8-acetic acid,2-(4-methoxyphenyl)-4-oxo。 |