30997-38-7 ((Phenanthrene, ethyl-)

快速询单

结构式：

Phenanthrene, ethyl-MOL文件

CAS号：

30997-38-7

英文名称：

Phenanthrene, ethyl-

分子式：

C₁₆H₁₄

分子量：

206.282364368439

Phenanthrene, ethyl-(30997-38-7)名称与标识符

名称

英文别名：

Phenanthrene, ethyl-;1-ethylphenanthrene;30997-38-7;ETHYLPHENANTHRENE;DTXSID50184980;1-ethyl-Phenanthrene;KAXRXNJKBMDQHE-UHFFFAOYSA-N;Phenanthrene, 1-ethyl-;

标识符

InChIKey：

KAXRXNJKBMDQHE-UHFFFAOYSA-N

Inchi：

1S/C16H14/c1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16/h3-11H,2H2,1H3

SMILES：

C12C=CC3C=CC=CC=3C1=CC=CC=2CC

Phenanthrene, ethyl-(30997-38-7)物化性质

计算特性

精确分子量 : 206.10955
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 1
同位素质量 : 206.10955
重原子数量 : 16
复杂度 : 232
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） : 5.6
拓扑分子极性表面积 : 0

Phenanthrene, ethyl-(30997-38-7)相关文献

1. 21. Some perhydrophenanathrenecarboxylic acid derivatives
R. A. Baxter,W. L. Norris,D. S. Morris J. Chem. Soc. 1949 95
2. 106. Synthesis of alkylphenanthrenes. Part VI. Attempts to synthesise the hydrocarbon “C16H14'” derived from strophanthidin
Robert Downs Haworth,Cecil Robert Mavin,George Sheldrick J. Chem. Soc. 1934 454
3. 115. Absorption spectra of polycyclic hydrocarbons. Part I. Alkyl-substituted phenanthrenes
F. A. Askew J. Chem. Soc. 1935 509
4. 132. Podocarpic acid. Synthesis of 6- and 7-methoxy-1 : 12-dimethyloctahydrophenanthrene-1-carboxylic acids
Robert D. Haworth,Barry P. Moore J. Chem. Soc. 1946 633
5. CXXII.—The constitution of thebenine
John Masson Gulland,Cyril Joseph Virden J. Chem. Soc. 1928 921
6. 848. The chemistry of extractives from hardwoods. Part XV. The constitution of methyl vinhaticoate
F. E. King,T. J. King J. Chem. Soc. 1953 4158
7. A comparative study of two factor analytic models applied to PAH data from inhalable air particulate collected in an urban-industrial environment
Uwayemi M. Sofowote,Laurie M. Allan,Brian E. McCarry J. Environ. Monit. 2010 12 425
8. Organic chemistry
J. Chem. Soc. Abstr. 1919 116 i145
9. 238. A new route to chrysene and 1 : 2-benzanthracene
Robert D. Haworth,Cecil R. Mavin J. Chem. Soc. 1933 1012
10. 697. Alkaloid biosynthesis. Part IV. 1-Benzylisoquinolines as precursors of thebaine, codeine, and morphine
A. R. Battersby,R. Binks,R. J. Francis,D. J. McCaldin,H. Ramuz J. Chem. Soc. 1964 3600