2,4-Dihydroxy-3-formyl-6-methylbenzoic acid methyl ester结构式
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常用名 | 2,4-Dihydroxy-3-formyl-6-methylbenzoic acid methyl ester | 英文名 | 2,4-Dihydroxy-3-formyl-6-methylbenzoic acid methyl ester |
|---|---|---|---|---|
| CAS号 | 34874-90-3 | 分子量 | 210.18300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C10H10O5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
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 | methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate |
|---|---|
| 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。
| 分子式 | C10H10O5 |
|---|---|
| 分子量 | 210.18300 |
| 精确质量 | 210.05300 |
| PSA | 83.83000 |
| LogP | 1.00530 |
| InChIKey | PXFMUVDLJWXOQM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1c(C)cc(O)c(C=O)c1O |
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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~72%
2,4-Dihydroxy-3... 34874-90-3 |
| 文献:Pulgarin, Cesar; Tabacchi, Raffaele Helvetica Chimica Acta, 1989 , vol. 72, p. 1061 - 1065 |
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~88%
2,4-Dihydroxy-3... 34874-90-3 |
| 文献:Pulgarin, Cesar; Tabacchi, Raffaele Helvetica Chimica Acta, 1989 , vol. 72, p. 1061 - 1065 |
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~80%
2,4-Dihydroxy-3... 34874-90-3 |
| 文献:Ponde, Datta E.; Ramalingam; Patil, Mahesh L.; Borate, Hanumant B.; Deshpande, Vishnu H. Tetrahedron Letters, 1999 , vol. 40, # 29 p. 5399 - 5400 |
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~%
2,4-Dihydroxy-3... 34874-90-3 |
| 文献:Hesse Chemische Berichte, 1897 , vol. 30, p. 363 Journal fuer Praktische Chemie (Leipzig), 1898 , vol. <2> 58, p. 518,557 Full Text Show Details Zopf Justus Liebigs Annalen der Chemie, 1895 , vol. 288, p. 38,49, 72 Justus Liebigs Annalen der Chemie, 1902 , vol. 321, p. 37,46 Full Text Show Details Curd; Robertson; Stephenson Journal of the Chemical Society, 1933 , p. 130,132 |
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~%
2,4-Dihydroxy-3... 34874-90-3 |
| 文献:Seshadri; Venkatasubramanian Journal of the Chemical Society, 1959 , p. 1660 |
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 3 | |
|---|---|
| 下游产品 4 | |
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:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:Phytogrowth-inhibitory activity against Echinochloa crusgalli assessed as inhibition ...
来源:ChEMBL
靶标:Echinochloa crus-galli
External Id:CHEMBL970890
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
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实验名称:qHTS for Inhibitors of Polymerase Iota
来源:NCGC
靶标:DNA polymerase iota [Homo sapiens]
External Id:PolI100
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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。
| 3-formyl-2,4-dihydroxy-6-methylbenzoic acid methyl ester |
| formyl-3-dihydroxy-2,4-methyl-6-benzoate de methyle |
| Methyl haematommate |
| Methyl haematomate |
| methyl hematommate |
| Benzoic acid,3-formyl-2,4-dihydroxy-6-methyl-,methyl ester |
| methyl 2,4-dihydroxy-3-formyl-6-methylbenzoate |
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: 34874-90-3的中文名称是什么? |
| A: 34874-90-3的中文名称为34874-90-3。 |
| Q: 34874-90-3的LogP(油水分配系数)是多少? |
| A: 34874-90-3LogP(油水分配系数)为1.00530。 |
| Q: 34874-90-3的上游原料有哪些? |
| A: 34874-90-3相关上游原料(CAS):3187-58-4;557-21-1;479-20-9。 |
| Q: 34874-90-3的InChIKey是什么? |
| A: 34874-90-3InChIKey为PXFMUVDLJWXOQM-UHFFFAOYSA-N。 |
| Q: 34874-90-3的SMILES表达式是什么? |
| A: 34874-90-3SMILES表达式为COC(=O)c1c(C)cc(O)c(C=O)c1O。 |
| Q: 34874-90-3有哪些英文别名? |
| A: 34874-90-3英文别名有:3-formyl-2,4-dihydroxy-6-methylbenzoic acid methyl ester、 formyl-3-dihydroxy-2,4-methyl-6-benzoate de methyle、 Methyl haematommate、 Methyl haematomate、 methyl hematommate、 Benzoic acid,3-formyl-2,4-dihydroxy-6-methyl-,methyl ester、 methyl 2,4-dihydroxy-3-formyl-6-methylbenzoate。 |
| Q: 34874-90-3的CAS号是多少? |
| A: 34874-90-3CAS号为34874-90-3。 |
| Q: 34874-90-3的极性表面积PSA是多少? |
| A: 34874-90-3极性表面积PSA为83.83000。 |
| Q: 34874-90-3的英文名称是什么? |
| A: 34874-90-3英文名称为methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate。 |
| Q: 34874-90-3的分子式是什么? |
| A: 34874-90-3分子式为C10H10O5。 |