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反式-2-丁烯-1,4-二醇 | 821-11-4

反式-2-丁烯-1,4-二醇
trans-2-Butene-1,4-diol
821-11-4
C4H8O2
88.1051216125488
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:反式-2-丁烯-1,4-二醇结构式
175854
名称和标识符
MDL MFCD00063207
InChIKey ORTVZLZNOYNASJ-OWOJBTEDSA-N
Inchi 1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+
SMILES C(/CO)=C\CO
别名信息
- 中文别名 -
  • 反-2-丁烯-1,4-二醇
  • 2-丁烯-1,4-二醇
  • trans-2-Butene-1,4-diol 反-2-丁烯-1,4-二醇
  • 反式-2-丁烯-1,4-二醇
  • (2E)-丁-2-烯-1,4-二醇
- 英文别名 -
  • 2-Butene-1,4-diol,(2E)-
  • trans-2-Butene-1,4-diol
  • (+-)-2t-Brom-cyclopropan-r-carbonsaeure
  • (+-)-trans-2-Brom-cyclopropancarbonsaeure
  • (1SR,2RS)-2-bromocyclopropanecarboxylic acid
  • (E)-1,4-dihydroxy-2-butene
  • (E)-2-butene-1,4-diol
  • 2-BUTENE-1,4-DIOL
  • cis 2-butene-1,4-diol
  • Cyclopropanecarboxylicacid,2-bromo
  • trans-1,4-dihydroxy-2-butene
  • trans-2-bromocyclopropanecarboxylic acid
  • Penitricin C
  • trans-2-Buten-1,4-diol
  • (E)2-Butene-1,4-Diol
  • (E)-but-2-ene-1,4-diol
  • but-2-ene-1,4-diol
  • 2-butene-1,4-diol, (2E)-
  • Agrisynth B2D
  • Caswell No. 120
  • (2E)-2-Butene-1,4-diol
  • 2-Butene, 1,4-dihydroxy-
  • 2-Buten-1,4-diol
  • (2E)-but-2-ene-1,4-diol
  • 1,4-DIHYDROXY-2-BUTENE
  • EPA Pesticide Chemical Code 220100
  • ORTVZLZNOYNASJ-OWOJBTEDSA-N
  • 0P6354W2W1
  • 2-Butene-1,4-diol,c&t
  • (2E)-2-Butene-1
  • (2E)-2-Butene-1,4-diol (ACI)
  • 2-Butene-1,4-diol, (E)- (8CI)
  • 2-Butene-1,4-diol, trans- (6CI)
  • (2E)-But-2-ene-1,4-diol
  • (E)-2-Butene-1,4-diol
物化性质
实验特性
LogP -0.47280
PSA 40.46000
折射率 1.502 (589.3 nm 20 ºC)
沸点 127°C/10mmHg(lit.)
熔点 25°C(lit.)
闪点 85.4±16.4 ºC,
溶解度 易溶 (236 g/L) (25 ºC),
密度 1.059±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 88.05240
氢键供体数量 2
氢键受体数量 2
可旋转化学键数量 2
重原子数量 6
复杂度 34.8
疏水参数计算参考值(XlogP) -0.8
拓扑分子极性表面积 40.5
国际标准相关数据
EINECS 5540
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专业数据库参考
PubChemId 175854
参考资料
Reaxys RN 1719691
Beilstein 1(4)2660
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