85-08-5 ((2-甲基-1-萘基)-乙酸,1-Naphthaleneaceticacid, 2-methyl-)

快速询单

结构式：

(2-甲基-1-萘基)-乙酸MOL文件

CAS号：

85-08-5

中文名称：

(2-甲基-1-萘基)-乙酸

英文名称：

1-Naphthaleneaceticacid, 2-methyl-

分子式：

C₁₃H₁₂O₂

分子量：

200.233183860779

(2-甲基-1-萘基)-乙酸(85-08-5)名称与标识符

名称

中文别名：

(2-甲基-1-萘基)-乙酸;

英文别名：

1-Naphthaleneaceticacid, 2-methyl-;2-Methyl-1-naphthaleneacetic acid;(2-methyl-naphthalen-1-yl)-acetic acid;(2-methyl-1-naphthyl)acetic acid;

标识符

MDL：

MFCD00021580

InChIKey：

GQHUFHPHBHEKSX-UHFFFAOYSA-N

Inchi：

1S/C13H12O2/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)

SMILES：

C1(CC(O)=O)=C2C(C=CC=C2)=CC=C1C

(2-甲基-1-萘基)-乙酸(85-08-5)物化性质

实验特性

折射率 : 1.636
沸点 : 387.6°C at 760 mmHg
熔点 : 183-185 °C
闪点 : 284.5°C
酸度系数(pKa) : 4.00±0.30(Predicted)
密度 : 1.197

计算特性

精确分子量 : 200.08373
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 200.08373
重原子数量 : 15
复杂度 : 237
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.4
拓扑分子极性表面积 : 37.3

(2-甲基-1-萘基)-乙酸(85-08-5)国际标准相关数据

EINECS：

201-586-2

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(2-甲基-1-萘基)-乙酸(85-08-5)相关文献

1. Polynuclear bismuth selenolates: rings en route to clusters
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4. Solvent effects in dipole moment determinations. The molecular polarizations and apparent dipole moments of tert.-butyl chloride and methyl cyanide in various solvents and solvent mixtures
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7. Complexes [(P2)Rh(hfacac)](P2= bidentate chelating phosphane, hfacac = hexafluoroacetylacetonate) as catalysts for CO2 hydrogenation: correlations between solid state structures, 103Rh NMR shifts and catalytic activities
Roland Fornika,Helmar G?rls,Bernd Seemann,Walter Leitner J. Chem. Soc. Chem. Commun. 1995 1479
8. Complexes [(P2)Rh(hfacac)](P2= bidentate chelating phosphane, hfacac = hexafluoroacetylacetonate) as catalysts for CO2 hydrogenation: correlations between solid state structures, 103Rh NMR shifts and catalytic activities
Roland Fornika,Helmar G?rls,Bernd Seemann,Walter Leitner J. Chem. Soc. Chem. Commun. 1995 1479
9. Complexes [(P2)Rh(hfacac)](P2= bidentate chelating phosphane, hfacac = hexafluoroacetylacetonate) as catalysts for CO2 hydrogenation: correlations between solid state structures, 103Rh NMR shifts and catalytic activities
Roland Fornika,Helmar G?rls,Bernd Seemann,Walter Leitner J. Chem. Soc. Chem. Commun. 1995 1479