当前位置: 首页 » 资料 » 化学物质数据库 » NSC166116 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid,Canonica

NSC166116 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid,Canonica

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:5
摘 要:NSC166116 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid,Canonical SMILES: C(CCCC=C(CCO)C(=O)O)CCC=C(CCO)C(=O)O,InChI: InChI=1/C16H26O6/c17-11-9-13(15(19)20)7-5-3-1-2-4-6-8-14(10-12-18)16(21),22/h7-8,17-18H,1-6,9-12H2,(H,19,20)(H,21,22)/f/h19,21
[Synonyms]
NSC166116
[Structure]
NSC166116 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid,Canonica

[ Properties Computed from Structure]
Molecular Weight314.37404 [g/mol]
Molecular FormulaC16H26O6
XLogP1.7
H-Bond Donor4
H-Bond Acceptor6
Rotatable Bond Count13
Exact Mass314.172939
MonoIsotopic Mass314.172939
Topological Polar Surface Area115
Heavy Atom Count22
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count2
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid
Canonical SMILES: C(CCCC=C(CCO)C(=O)O)CCC=C(CCO)C(=O)O
InChI: InChI=1/C16H26O6/c17-11-9-13(15(19)20)7-5-3-1-2-4-6-8-14(10-12-18)16(21)
22/h7-8,17-18H,1-6,9-12H2,(H,19,20)(H,21,22)/f/h19,21H

 
本文导航:
  • (1) NSC166116 2,11-bis(2-hydroxyethyl)dodeca-2,10-dienedioic acid,Canonica
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注