当前位置: 首页 » 资料 » 化学物质数据库 » 4-methoxyphenyl nicotinate,Oprea1_116705,MLS000534218,Nicotinic acid,

4-methoxyphenyl nicotinate,Oprea1_116705,MLS000534218,Nicotinic acid,

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:4-methoxyphenyl nicotinate,Oprea1_116705,MLS000534218,Nicotinic acid, 4-methoxyphenyl ester,ZINC00240594,SMR000141655,EU-0000622,AN-652/05929028, (4-methoxyphenyl) pyridine-3-carboxylate,Canonical SMILES: COC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2,InChI: InChI
[Synonyms]
4-methoxyphenyl nicotinate
Oprea1_116705
MLS000534218
Nicotinic acid, 4-methoxyphenyl ester
ZINC00240594
SMR000141655
EU-0000622
AN-652/05929028

[Structure]
4-methoxyphenyl nicotinate,Oprea1_116705,MLS000534218,Nicotinic acid,

[ Properties Computed from Structure]
Molecular Weight229.23134 [g/mol]
Molecular FormulaC13H11NO3
XLogP2.2
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass229.073893
MonoIsotopic Mass229.073893
Topological Polar Surface Area48.4
Heavy Atom Count17
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4-methoxyphenyl) pyridine-3-carboxylate
Canonical SMILES: COC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2
InChI: InChI=1/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-
9H,1H3

 
本文导航:
  • (1) 4-methoxyphenyl nicotinate,Oprea1_116705,MLS000534218,Nicotinic acid,
  • 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