2-羟基-3,4-二甲氧基苯甲酸结构式
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常用名 | 2-羟基-3,4-二甲氧基苯甲酸 | 英文名 | 2-hydroxy-3,4-dimethoxybenzoic acid |
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| CAS号 | 5653-46-3 | 分子量 | 198.17300 | |
| 密度 | 1.335g/cm3 | 沸点 | 334.2ºC at 760mmHg | |
| 分子式 | C9H10O5 | 熔点 | 170-172ºC | |
| MSDS | 美版 | 闪点 | 134ºC |
| 中文名 | 2-羟基-3,4-二甲氧基苯甲酸 |
|---|---|
| 英文名 | 2-hydroxy-3,4-dimethoxybenzoic acid |
| 英文别名 | 更多 |
| 密度 | 1.335g/cm3 |
|---|---|
| 沸点 | 334.2ºC at 760mmHg |
| 熔点 | 170-172ºC |
| 分子式 | C9H10O5 |
| 分子量 | 198.17300 |
| 闪点 | 134ºC |
| 精确质量 | 198.05300 |
| PSA | 75.99000 |
| LogP | 1.10760 |
| InChIKey | CJFQIVAOBBTJCI-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(=O)O)c(O)c1OC |
| 折射率 | 1.566 |
| 储存条件 | 室温,保存在惰性气体中 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:5 4.可旋转化学键数量:3 5.互变异构体数量:4 6.拓扑分子极性表面积:76 7.重原子数量:14 8.表面电荷:0 9.复杂度:205 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 海关编码 | 2918990090 |
|---|---|
| 中文概述 | 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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来源:24565
靶标:N/A
External Id:ERK5 transcriptional activity-HTS
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来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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来源:NCGC
靶标:67.9K protein [Vaccinia virus]
External Id:Vaccinia-p2mCherry
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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来源:23265
靶标:IucA Synthetase from hypervirulent Klebsiella pneumoniae hvKP1
External Id:IucA Pilot Assay Spectrum Library
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实验名称:Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimo...
来源:ChEMBL
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External Id:CHEMBL3039491
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实验名称:The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
来源:11924
靶标:N/A
External Id:CGM data for Cell Systems paper Dec 2015
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实验名称:qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
来源:NCGC
靶标:67.9K protein [Vaccinia virus]
External Id:Vaccinia-p2Venus
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来源:NCGC
靶标:gene 4 small orf - Marburg virus
External Id:VSVM-OFFLINE
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实验名称:qHTS for Inhibitors of binding or entry into cells for Lassa Virus
来源:NCGC
靶标:N/A
External Id:VSVL-OFFLINE
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| 2-Oxy-3.4-dimethoxy-benzoesaeure |