当前位置: 首页 » 资料 » 化学物质数据库 » NAPHTHALENECARBOXALDEHYDE DERIV,NSC305501,74636-01-4, 2-hydroxy-7-meth

NAPHTHALENECARBOXALDEHYDE DERIV,NSC305501,74636-01-4, 2-hydroxy-7-meth

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:2
摘 要:NAPHTHALENECARBOXALDEHYDE DERIV,NSC305501,74636-01-4, 2-hydroxy-7-methoxy-6-methyl-5,,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde,Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2C=O)O)C(C)C)OC,InChI: InChI=1/C16H16O5/c1-7(2)9-5-11(18)10(6-17)13-1
[Synonyms]
NAPHTHALENECARBOXALDEHYDE DERIV
NSC305501
74636-01-4

[Structure]
NAPHTHALENECARBOXALDEHYDE DERIV,NSC305501,74636-01-4, 2-hydroxy-7-meth

[ Properties Computed from Structure]
Molecular Weight288.29524 [g/mol]
Molecular FormulaC16H16O5
XLogP2.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count45
Exact Mass288.099774
MonoIsotopic Mass288.099774
Topological Polar Surface Area80.7
Heavy Atom Count21
Formal Charge0
Complexity505
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: 2-hydroxy-7-methoxy-6-methyl-5,
8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2C=O)O)C(C)C)OC
InChI: InChI=1/C16H16O5/c1-7(2)9-5-11(18)10(6-17)13-12(9)14(19)8(3)16(21-4)15
(13)20/h5-7,18H,1-4H3

 
本文导航:
  • (1) NAPHTHALENECARBOXALDEHYDE DERIV,NSC305501,74636-01-4, 2-hydroxy-7-meth
  • 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