28304-67-8 ((Bicyclo[2.2.1]hept-2-ene,5-ethylidene-, (5E)-)

CAS号:
28304-67-8
英文名称:
Bicyclo[2.2.1]hept-2-ene,5-ethylidene-, (5E)-
分子式:
C9H12
分子量:
120.191582679749

Bicyclo[2.2.1]hept-2-ene,5-ethylidene-, (5E)-(28304-67-8)名称与标识符

名称

英文别名:
Bicyclo[2.2.1]hept-2-ene,5-ethylidene-, (5E)-;2-ethylidene-5-norbornene;TRANS-2-ETHYLIDENE-5-NORBORNENE;HSDB 1160;Q4536242;cis-5-ethylidenebicyclo[2.2.1]-2-heptene;5S9TQH0VUV;NS00001047;Q4D40UVR0R;Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-, cis;5-Ethylidenebicyclo(2.2.1)hept-2-ene;CHEMBL1427645;Ethylidene-2-norbornene;CCRIS 4816;Ethylidenenorbornene;2-Norbornene, 5-ethylidene-;OJOWICOBYCXEKR-KRXBUXKQSA-N;ENB;5-Ethylidene-8,9,10-trinorborn-2-ene;Ethylidene norbornene;DTXSID601270050;5-Ethylidene-2-norbornene, mixture of endo and exo;(5E)-5-Ethylidenebicyclo[2.2.1]hept-2-ene;UNII-Q4D40UVR0R;EC 240-347-7;5-Ethylidene-2-norbornene, mixt. of endo-and exo-isomers;16219-75-3;NCGC00091668-02;BICYCLO(2.2.1)HEPT-2-ENE, 5-ETHYLIDENE-, (5E)-;5-Ethylidene-2-norbornene, (E)-;5-Ethylidenebicyclo[2.2.1]-2-heptene;BRN 2039935;(E)-5-ethylidene-2-norbornene;2-Norbornene, 5-ethylidene-, (E)-;W-109171;TRANS-5-ETHYLIDENEBICYCLO(2.2.1)HEPT-2-ENE;F71171;5-Ethylidene-2-norbornene, cis;AKOS016010301;5-ETHYLIDENE-2-NORBORNENE, TRANS-;28304-67-8;NCGC00091668-01;CS-0360780;5-Ethylidenebicyclo[2.2.1]hept-2-ene;E0244;Bicyclo(2.2.1)hept-2-ene, 5-ethylidene-;Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-;5-ETHYLIDENE-2-NORBORNENE;AS-80467;EINECS 240-347-7;

标识符

InChIKey:
OJOWICOBYCXEKR-KRXBUXKQSA-N
Inchi:
1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+
SMILES:
C12C=CC(/C(=C/C)/C1)C2

Bicyclo[2.2.1]hept-2-ene,5-ethylidene-, (5E)-(28304-67-8)物化性质

实验特性

  • PSA : 0
  • 沸点 : 297.7 °F at 760 mm Hg (USCG, 1999)
  • 熔点 : -112 °F (USCG, 1999)
  • 闪点 : 79 °F (NTP, 1992)
  • 密度 : Relative vapor density (air = 1): 4.1

计算特性

  • 精确分子量 : 120.09396
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 120.0939
  • 重原子数量 : 9
  • 复杂度 : 175
  • 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 : 2
  • 确定化学键立构中心数量 : 1
  • 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) : 2.2
  • 拓扑分子极性表面积 : 0

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