37349-32-9 ((ortho-Hydroxyphenol)

快速询单

结构式：

ortho-HydroxyphenolMOL文件

CAS号：

37349-32-9

英文名称：

ortho-Hydroxyphenol

分子式：

C₆H₆O₂

分子量：

110.110641956329

ortho-Hydroxyphenol(37349-32-9)名称与标识符

名称

英文别名：

ortho-Hydroxyphenol;20244-21-7 (Unspecified hydrochloride salt);Ai3-03995;Brn 0471401;

标识符

InChIKey：

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Inchi：

1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

SMILES：

C1(O)=CC=CC=C1O

ortho-Hydroxyphenol(37349-32-9)物化性质

实验特性

沸点 : 245.5 deg C at 760 mm Hg; sublimes
熔点 : 105 deg C

计算特性

精确分子量 : 110.036779
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 110.036779
重原子数量 : 8
复杂度 : 62.9
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） : 0.9
拓扑分子极性表面积 : 40.5

ortho-Hydroxyphenol(37349-32-9)相关文献

1. Selective binding of benzenediol derivatives by simultaneous non-covalent interactions in bis-Pt(II) aza-aromatic host–guest system
Robert Trokowski,Shigehisa Akine,Tatsuya Nabeshima Dalton Trans. 2009 10359
2. Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes
Derek R. Boyd,Narain D. Sharma,John F. Malone,Vera Ljubez,Deirdre Murphy,Steven D. Shepherd,Christopher C. R. Allen Org. Biomol. Chem. 2016 14 2651
3. Experimental and theoretical studies on hydrogen bond-promoted fixation of carbon dioxide and epoxides in cyclic carbonates
Jin-Quan Wang,Jian Sun,Wei-Guo Cheng,Kun Dong,Xiang-Ping Zhang,Suo-Jiang Zhang Phys. Chem. Chem. Phys. 2012 14 11021
4. Experimental and theoretical studies on hydrogen bond-promoted fixation of carbon dioxide and epoxides in cyclic carbonates
Jin-Quan Wang,Jian Sun,Wei-Guo Cheng,Kun Dong,Xiang-Ping Zhang,Suo-Jiang Zhang Phys. Chem. Chem. Phys. 2012 14 11021
5. Metalated covalent organic frameworks: from synthetic strategies to diverse applications
Qun Guan,Le-Le Zhou,Yu-Bin Dong Chem. Soc. Rev. 2022 51 6307
6. Inhibitory effect of bortezomib on human multiple myeloma cells when combined with epigallocatechin-gallate (EGCG) analogs
Sreedhar Pamu,Di Chen,Fred Morin,Congde Huo,Qiuzhi Cui,Q. Ping Dou,Tak Hang Chan Med. Chem. Commun. 2012 3 229
7. Kinetics of reduction of [Os(CN)6]3– ion by ascorbic acid and substituted 1,2- and 1,4-dihydroxybenzenes in acidic media. Effects of β-cyclodextrin inclusion of the reductant
Jerome A. Imonigie,Donal H. Macartney J. Chem. Soc. Dalton Trans. 1993 891
8. Hydrophilic oxygen radical absorbance capacity values of low-molecular-weight phenolic compounds containing carbon, hydrogen, and oxygen
Shuhei Sakurai,Akito Kikuchi,Hiroaki Gotoh RSC Adv. 2022 12 4094
9. Pronounced photochromism of titanium oxide hydrates (hydrous TiO2)
Manuela Russo,Stephen E. J. Rigby,Walter Caseri,Natalie Stingelin J. Mater. Chem. 2010 20 1348
10. Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties
Rinki Brahma,Munendra Pal Singh,Jubaraj B. Baruah RSC Adv. 2019 9 33403

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