3229-70-7 (苯酚，离子（1-）,Phenol, ion(1-))

快速询单

结构式：

苯酚，离子（1-）MOL文件

CAS号：

3229-70-7

中文名称：

苯酚，离子（1-）

英文名称：

Phenol, ion(1-)

分子式：

C₆H₅O

分子量：

93.1033

苯酚，离子（1-）(3229-70-7)名称与标识符

名称

中文别名：

苯氧基自由基;

英文别名：

Phenol, ion(1-);Phenol ion;

标识符

InChIKey：

ISWSIDIOOBJBQZ-UHFFFAOYSA-M

Inchi：

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1

SMILES：

[O-]C1C=CC=CC=1

苯酚，离子（1-）(3229-70-7)物化性质

实验特性

LogP : 1.83040
PSA : 23.06

计算特性

精确分子量 : 93.03405
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 : 93.034
重原子数量 : 7
复杂度 : 46.1
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 : 0
确定化学键立构中心数量 : 0
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） : 1.5
拓扑分子极性表面积 : 23.1Å²

苯酚，离子（1-）(3229-70-7)相关文献

1. Coordination of substitutionally inert phenolate ligands to lanthanide(ii) and (iii) compounds—catalysts for ring-opening polymerization of cyclic esters
Pascal I. Binda,Ewan E. Delbridge,Harmon B. Abrahamson,Brian W. Skelton Dalton Trans. 2009 2777
2. Sodium, magnesium and zinc complexes of mono(phenolate) heteroscorpionate ligands
A. Daniel Schofield,Mariana Luna Barros,Michael G. Cushion,Andrew D. Schwarz,Philip Mountford Sodium magnesium and zinc complexes of mono(phenolate) heteroscorpionate ligands. A. Daniel Schofield Mariana Luna Barros Michael G. Cushion Andrew D. Schwarz Philip Mountford Dalton Trans. 2009 85
3. Metal complexes with oxygen-functionalized NHC ligands: synthesis and applications
Sophie Hameury,Pierre de Frémont,Pierre Braunstein Chem. Soc. Rev. 2017 46 632
4. Phenolate-bonded bis(μ-oxido)-bis-copper(iii) intermediates: hydroxylation and dehalogenation reactivities
Peng Kang,Bo-Lin Lin,Tao A. G. Large,Jasper Ainsworth,Erik C. Wasinger,T. Daniel P. Stack Faraday Discuss. 2022 234 86
5. Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity
Thomas R. Porter,Ellen C. Hayes,Werner Kaminsky,James M. Mayer Dalton Trans. 2017 46 2551
6. Recent progress in the application of group 1, 2 & 13 metal complexes as catalysts for the ring opening polymerization of cyclic esters
Jiahao Gao,Dongzhi Zhu,Wenjuan Zhang,Gregory A. Solan,Yanping Ma,Wen-Hua Sun Inorg. Chem. Front. 2019 6 2619
7. Ring-opening polymerization of cyclic esters with lithium amine-bis(phenolate) complexes
Rebecca K. Dean,Amy M. Reckling,Hua Chen,Louise N. Dawe,Celine M. Schneider,Christopher M. Kozak Dalton Trans. 2013 42 3504
8. Theoretical insights into the E1cB/E2 mechanistic dichotomy of elimination reactions
Daniela E. Ortega,Rodrigo Ormazábal-Toledo,Renato Contreras,Ricardo A. Matute Org. Biomol. Chem. 2019 17 9874
9. Solvent-dependent ambident nucleophilicity of phenoxide ion towards nitroporphyrins: synthesis of 2-hydroxyaryl- and 2-aryloxy-5,10,15,20-tetraphenylporphyrins by displacement of a nitro group
Maxwell J. Crossley,Lionel G. King,Janelle L. Simpson J. Chem. Soc. Perkin Trans. 1 1997 3087
10. pH controlled assembly of a self-complementary halogen-bonded dimer
Leonardo Maugeri,Ellen M. G. Jamieson,David B. Cordes,Alexandra M. Z. Slawin,Douglas Philp Chem. Sci. 2017 8 938