Propanedioic acid,2-(phenylmethylene)

• 常用名: Propanedioic acid,2-(phenylmethylene)
• 英文名: Propanedioic acid,2-(phenylmethylene)
• CAS号: 584-45-2
• 分子量: 192.16800
• 密度: 1.413g/cm3
• 沸点: 384ºC at 760 mmHg
• 分子式: C₁₀H₈O₄
• 熔点: N/A
• 闪点: 200.2ºC

Propanedioic acid,2-(phenylmethylene)名称

• 英文名: 2-benzylidenepropanedioic acid

Propanedioic acid,2-(phenylmethylene)物理化学性质

• 密度: 1.413g/cm3
• 沸点: 384ºC at 760 mmHg
• 分子式: C₁₀H₈O₄
• 分子量: 192.16800
• 闪点: 200.2ºC
• 精确质量: 192.04200
• PSA: 74.60000
• LogP: 1.23920
• InChIKey: KXTAOXNYQGASTA-UHFFFAOYSA-N
• SMILES: O=C(O)C(=Cc1ccccc1)C(=O)O
• 折射率: 1.652
• 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:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积:74.6

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:245

  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

Propanedioic acid,2-(phenylmethylene)毒性和生态

Propanedioic acid,2-(phenylmethylene)靶点实验

查看更多实验

实验名称：Antinociceptive activity in CD1 mouse assessed as increase in thermal-stimulus induce... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL3993358

实验名称：Antinociceptive activity in CD1 mouse assessed as increase in thermal-stimulus induce... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL3993357

实验名称：Agonist activity at human TREK1 expressed in xenopus oocytes assessed as increase in ... 来源：ChEMBL 靶标：Potassium channel subfamily K member 2 External Id：CHEMBL3993351

实验名称：Antinociceptive activity in CD1 mouse assessed as inhibition of acetic acid-induced w... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL3993354

实验名称：NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L... 来源：DTP/NCI 靶标：N/A External Id：MCF7_OneDose

实验名称：Inhibition of Gloeobacter violaceus ligand-gated ion channel expressed in Xenopus lae... 来源：ChEMBL 靶标：N/A External Id：CHEMBL2389044

实验名称：NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell... 来源：DTP/NCI 靶标：N/A External Id：IGROV1_OneDose

实验名称：Dissociation constant, pKa of the compound 来源：ChEMBL 靶标：N/A External Id：CHEMBL2389041

实验名称：Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed in Xe... 来源：ChEMBL 靶标：N/A External Id：CHEMBL2389045

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Propanedioic acid,2-(phenylmethylene)英文别名

• Benzalmalonsaeure
• 2-Benzylidenemalonic acid
• Benzalmalonic acid
• benzylidene-malonic acid
• Benzyliden-malonsaeure
• EINECS 209-538-2
• Malonic acid,benzylidene