3285-98-1 (1,2-二甲基蒽-9,10-二酮,1,2-dimethylanthracene-9,10-dione)

快速询单

结构式：

1,2-二甲基蒽-9,10-二酮MOL文件

CAS号：

3285-98-1

中文名称：

1,2-二甲基蒽-9,10-二酮

英文名称：

1,2-dimethylanthracene-9,10-dione

分子式：

C₁₆H₁₂O₂

分子量：

236.265284538269

1,2-二甲基蒽-9,10-二酮(3285-98-1)名称与标识符

名称

英文别名：

1,2-dimethylanthracene-9,10-dione;1,2-Dimethylanthraquinone;1,2-dimethyl-9,10-anthracenedione;1,2-Dimethyl-9,10-anthrachinon;1,2-Dimethyl-9,10-anthraquinone;1,2-Dimethylanthrachinon;1,2-Dimethyl-anthrachinon;1,2-Dimethyl-anthrachinon-9,10;1,2-dimethyl-anthraquinone;Anthraquinone,2-dimethyl-;GNRPVZNNVOGXHD-UHFFFAOYSA-N;DTXSID40954497;DIMETHYLANTHRAQUINONE;DS-006422;71265-31-1;NSC-251671;Anthraquinone, 1,2-dimethyl-;1,2-Dimethylanthra-9,10-quinone #;AKOS024341760;9,10-Anthracenedione, 1,2-dimethyl-;SCHEMBL57336;9, 1,2-dimethyl-;NSC251671;3285-98-1;

标识符

InChIKey：

GNRPVZNNVOGXHD-UHFFFAOYSA-N

Inchi：

1S/C16H12O2/c1-9-7-8-13-14(10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3

SMILES：

O=C1C2C=CC=CC=2C(C2=CC=C(C)C(C)=C21)=O

1,2-二甲基蒽-9,10-二酮(3285-98-1)物化性质

实验特性

PSA : 34.14

计算特性

精确分子量 : 236.08376
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 236.083729621g/mol
重原子数量 : 18
复杂度 : 373
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） : 3.6
拓扑分子极性表面积 : 34.1Å²

1,2-二甲基蒽-9,10-二酮(3285-98-1)相关文献

1. CXXVIII.—Synthesis of 4-hydroxy-l : 2-dimethylanthraquinone
Arthur Fairbourne,John Mildred Gauntlett J. Chem. Soc. Trans. 1923 123 1137
2. CCLXXXII.—Synthesis of anthracene homologues. Part I. 2 : 6- and 2 : 7-Dimethylanthracenes
Gilbert T. Morgan,Edward Auty Coulson J. Chem. Soc. 1929 2203
3. CLXXXIII.—The ortho-dimethylanthraquinones and their derivatives
Arthur Fairbourne J. Chem. Soc. Trans. 1921 119 1573
4. Separation system suitability (3S): a new criterion of chromatogram classification in HPLC based on cross-evaluation of separation capacity/peak symmetry and its application to complex mixtures of anthraquinones
Witold Nowik,Sylvie Héron,Myriam Bonose,Alain Tchapla Analyst 2013 138 5801
5. High-performance organic semiconductors for thin-film transistors based on 2,6-bis(2-thienylvinyl)anthracene
Myoung-Chul Um,Junhyuk Jang,Jihoon Kang,Jung-Pyo Hong,Do Yeung Yoon,Seong Hoon Lee,Jang-Joo Kim,Jong-In Hong J. Mater. Chem. 2008 18 2234
6. 120. The constituents of high-boiling petroleum distillates. Part III. Anthracene homologues in a Kuwait oil
W. Carruthers J. Chem. Soc. 1956 603
7. Intramolecular hydrogen-atom transfer at the lowest excited singlet and triplet states resulting in solvent-dependent novel photochemistry of a sterically strained 1,4-hexyl-bridged anthraquinone
Toshihiro Nakayama,Tetsuya Hamana,Sadao Miki,Kumao Hamanoue J. Chem. Soc. Faraday Trans. 1996 92 1473
8. 3. Polycyclic aromatic hydrocarbons. Part XXI
G. M. Badger,J. W. Cook,F. Goulden J. Chem. Soc. 1940 16
9. CCCXLI.—Synthesis of anthracene homologues. Part II. 2 : 3 : 6-Trimethylanthracene
Gilbert T. Morgan,Edward Auty Coulson J. Chem. Soc. 1929 2551
10. Organic thin-film transistors based on 2,6-bis(2-arylvinyl)anthracene: high-performance organic semiconductors
Myoung-Chul Um,Junhyuk Jang,Jung-Pyo Hong,Jihoon Kang,Do Yeung Yoon,Seong Hoon Lee,Jang-Joo Kim,Jong-In Hong New J. Chem. 2008 32 2006