34524-96-4 ((1,4-Naphthalenedione,2-methyl-, radical ion(1-))

快速询单

结构式：

1,4-Naphthalenedione,2-methyl-, radical ion(1-)MOL文件

CAS号：

34524-96-4

英文名称：

1,4-Naphthalenedione,2-methyl-, radical ion(1-)

分子式：

C₁₁H₈O₂

分子量：

172.18002

1,4-Naphthalenedione,2-methyl-, radical ion(1-)(34524-96-4)名称与标识符

名称

英文别名：

1,4-Naphthalenedione,2-methyl-, radical ion(1-);2-Methyl-1,4-naphthoquinone radical ion(1-);2-Methyl-1,4-naphthoquinoneradical anion;2-Methyl-1,4-naphthosemiquinone;Menadione semiquinone radical ion(1-);Menaquinone radical anion(1-);Vitamin K3 radical anion;Vitamin K3 semiquinone;

标识符

InChIKey：

MJVAVZPDRWSRRC-UHFFFAOYSA-N

Inchi：

InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

SMILES：

CC1=CC(=O)C2=CC=CC=C2C1=O

1,4-Naphthalenedione,2-methyl-, radical ion(1-)(34524-96-4)物化性质

实验特性

熔点 : 105-107 deg C

计算特性

精确分子量 : 172.05243
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 : 172.05243
重原子数量 : 13
复杂度 : 289
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） : 2.2
拓扑分子极性表面积 : 34.1

1,4-Naphthalenedione,2-methyl-, radical ion(1-)(34524-96-4)相关文献

1. Metal complexes of a pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): synthesis, characterization, and anticancer activity
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2. Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity
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3. Exploring the trifluoromenadione core as a template to design antimalarial redox-active agents interacting with glutathione reductase
Don Antoine Lanfranchi,Didier Belorgey,Tobias Müller,Hervé Vezin,Michael Lanzer,Elisabeth Davioud-Charvet Org. Biomol. Chem. 2012 10 4795
4. EPR, ENDOR, TRIPLE resonance spectroscopy and MO studies on radical anion, neutral radical and radical cation of vitamin K3 in a selection of solvents
Heikki Joela,Pekka Lehtovuori Phys. Chem. Chem. Phys. 1999 1 4003
5. Metal-free, base promoted sp2 C–H functionalization in the sulfonamidation of 1,4-naphthoquinones
Ramanathan Devenderan,Pitchumani Kasi Org. Biomol. Chem. 2018 16 5294
6. Selective synthesis of vitamin K3 over mesoporous NbSBA-15 catalysts synthesized by an efficient hydrothermal method
M. Selvaraj,D.-W. Park,I. Kim,S. Kawi,C. S. Ha Dalton Trans. 2012 41 9633
7. Catalytic performance of benzoxazine derived ordered mesoporous carbon materials for the selective oxidation of 2-methylnaphthalene
Zhouxuan Zang,Yingge Chang,Yi Yu,Haihan Zhang,Li Xu,Guoji Liu New J. Chem. 2020 44 17422
8. Colorimetric sensing of Cu(ii) by 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone: Cu(ii) induced deprotonation of NH responsible for color changes
Shu-Pao Wu,Ray-Yui Huang,Kun-Ju Du Dalton Trans. 2009 4735
9. Microplate analytical method for quinones by pulse photo-irradiation and chemiluminescence detection
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10. Synthesis and biological activity of imidazole based 1,4-naphthoquinones
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