283-19-2 ((Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI))

快速询单

结构式：

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI)MOL文件

CAS号：

283-19-2

英文名称：

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI)

分子式：

C₉H₁₆

分子量：

124.223342895508

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI)(283-19-2)名称与标识符

名称

英文别名：

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI);Bicyclo(3.2.2)nonane;Bicyclo[3.2.2]nonane;DTXSID90182546;283-19-2;InChI=1/C9H16/c1-2-8-4-6-9(3-1)7-5-8/h8-9H,1-7H;

标识符

InChIKey：

GNTFBMAGLFYMMZ-UHFFFAOYSA-N

Inchi：

1S/C9H16/c1-2-8-4-6-9(3-1)7-5-8/h8-9H,1-7H2

SMILES：

C12CCCC(CC1)CC2

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI)(283-19-2)物化性质

实验特性

PSA : 0
折射率 : 1.474
沸点 : 166.5°Cat760mmHg
闪点 : 37.3°C
密度 : 0.882

计算特性

精确分子量 : 124.12528
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 : 124.125
重原子数量 : 9
复杂度 : 76.2
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） : 4.1
拓扑分子极性表面积 : 0Å²

Bicyclo[3.2.2]nonane(6CI,7CI,8CI,9CI)(283-19-2)相关文献

1. Discovery of 13,15-nor-polycyclic polyprenylated acylphloroglucinols from Hypericum longistylum with anti-inflammatory activity
Zhengyi Shi,Hong Hu,Yi Guo,Yulin Duan,Yeting Zhang,Bo Tao,Pengfei Bu,Weiguang Sun,Changxing Qi,Yonghui Zhang Org. Biomol. Chem. 2022 20 1284
2. Different routes for the construction of biologically active diversely functionalized bicyclo[3.3.1]nonanes: an exploration of new perspectives for anticancer chemotherapeutics
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3. When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes
Marion Delorme,Alexander Punter,Raquel Oliveira,Corinne Aubert,Yannick Carissan,Jean-Luc Parrain,Muriel Amatore,Paola Nava,Laurent Commeiras Dalton Trans. 2019 48 15767
4. Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum
Qi Luo,Lei Di,Xiao-Hua Yang,Yong-Xian Cheng RSC Adv. 2016 6 45963
5. The chemistry and biology of fungal meroterpenoids (2009–2019)
Minghua Jiang,Zhenger Wu,Lan Liu,Senhua Chen Org. Biomol. Chem. 2021 19 1644
6. Transannular hydride shifts; the solvolytic behaviour of bicyclo[3.3.2]-decan-3-exo-yl toluene-p-sulphonate
Martin Doyle,William Parker J. Chem. Soc. Perkin Trans. 1 1977 858
7. Chiroptical studies. Part 92 The circular dichroism of strained, bridged-ring, and other ketones
David N. Kirk J. Chem. Soc. Perkin Trans. 1 1977 2122
8. Reduction of 6-hydroxyimino-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane and nitrosation of the resulting amines. New rearrangement products of the monoterpenoid 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Francesco Bondavalli,Angelo Ranise,Pietro Schenone,Silvia Lanteri J. Chem. Soc. Perkin Trans. 1 1978 804
9. Conformational studies on the bicyclo[3.3.2]decane system
Martin Doyle,Russell Hafter,William Parker J. Chem. Soc. Perkin Trans. 1 1977 364
10. A variable temperature nuclear magnetic resonance spectroscopy study of nitrogen inversion in medium-ring monocyclic and bicyclic systems
J. M. Lehn,J. Wagner J. Chem. Soc. D 1970 414

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