当前位置: 首页 » 资料 » 化学物质数据库 » (Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid,Canonical SMILES

(Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid,Canonical SMILES

放大字体  缩小字体 更新日期:2018-11-27  浏览次数:1
摘 要: (Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid,Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C(=CO2)C=CC(=O)O,Isomeric SMILES: C1=CC2=C(C=C1O)C(=O)C(=CO2)\C=C/C(=O)O,InChI: InChI=1/C12H8O5/c13-8-2-3-10-9(5-8)12(16)7(6-17-10)1-4-11(14)15/h1-6,,13H,(H,1
[Synonyms]

[Structure]
 (Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid,Canonical SMILES

[ Properties Computed from Structure]
Molecular Weight232.18892 [g/mol]
Molecular FormulaC12H8O5
XLogP1.1
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count2
Tautomer Count3
Exact Mass232.037173
MonoIsotopic Mass232.037173
Topological Polar Surface Area83.8
Heavy Atom Count17
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C(=CO2)C=CC(=O)O
Isomeric SMILES: C1=CC2=C(C=C1O)C(=O)C(=CO2)\C=C/C(=O)O
InChI: InChI=1/C12H8O5/c13-8-2-3-10-9(5-8)12(16)7(6-17-10)1-4-11(14)15/h1-6,
13H,(H,14,15)/b4-1-/f/h14H

 
本文导航:
  • (1) (Z)-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid,Canonical SMILES
  • 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