3-乙酰基-7-羟基-苯并吡喃-2-酮

• 常用名: 3-乙酰基-7-羟基-苯并吡喃-2-酮
• 英文名: 3-ACETYL-7-HYDROXY-2H-CHROMEN-2-ONE
• CAS号: 10441-27-7
• 分子量: 204.17900
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₁H₈O₄
• 熔点: 234 ℃(lit.)
• 闪点: N/A

3-乙酰基-7-羟基-苯并吡喃-2-酮名称

• 中文名: 3-乙酰基-7-羟基-苯并吡喃-2-酮
• 英文名: 3-acetyl-7-hydroxychromen-2-one
• 中文别名: 3-乙酰基-7-羟基香豆素

3-乙酰基-7-羟基-苯并吡喃-2-酮物理化学性质

• 熔点: 234 ℃(lit.)
• 分子式: C₁₁H₈O₄
• 分子量: 204.17900
• 精确质量: 204.04200
• PSA: 67.51000
• LogP: 1.70120
• InChIKey: BRQZHMHHZLRXOO-UHFFFAOYSA-N
• SMILES: CC(=O)c1cc2ccc(O)cc2oc1=O
• 水溶解性: DMF: soluble
• 分子结构:

  1、 摩尔折射率：50.84

  2、 摩尔体积（cm³/mol）：144.7

  3、 等张比容（90.2K）：402.4

  4、 表面张力（dyne/cm）：59.7

  5、 极化率（10-24cm3）：20.15

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  5.互变异构体数量:13

  6.拓扑分子极性表面积63.6

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:332

  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

3-乙酰基-7-羟基-苯并吡喃-2-酮安全信息

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 22
• 安全声明 (欧洲): 24/25
• WGK德国: 3
• 海关编码: 2932209090

3-乙酰基-7-羟基-苯并吡喃-2-酮海关

• 海关编码: 2932209090
• 中文概述: 2932209090. 其他内酯. 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:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-乙酰基-7-羟基-苯并吡喃-2-酮靶点实验

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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

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

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

实验名称：HTS for Inhibition of CaV1.3 ICDI/IQ interaction using a live-cell FRET assay Measure... 来源：Broad Institute 靶标：N/A External Id：7081-01_Inhibitor_Dose_CherryPick_Activity

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

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

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

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

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

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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3-乙酰基-7-羟基-苯并吡喃-2-酮英文别名

• 3-Acetyl-umbelliferone
• 3-acetyl-7-hydroxy-2-oxochromene
• 3-Acetyl-7-hydroxycoumarin
• 3-Acetyl-7-Hydroxy-1H-Chromen-2-One
• 3-Acetyl-7-hydroxy-cumarin
• 3-acetyl-7-hydroxy-2H-chromen-2-one
• MFCD00037379
• 3-Acetyl-7-hydroxy-chromen-2-one
• 7-hydroxy-3-acetylcoumarin