117178-65-1

快速询单

结构式：

117178-65-1MOL文件

CAS号：

117178-65-1

分子式：

C₇H₁₂O₃

分子量：

144.168382644653

117178-65-1(117178-65-1)名称与标识符

标识符

InChIKey：

AAQDYYFAFXGBFZ-ZETCQYMHSA-N

Inchi：

1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m0/s1

SMILES：

O1CCC[C@H]1COC(C)=O

117178-65-1(117178-65-1)物化性质

计算特性

精确分子量 : 144.078644241g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 144.078644241g/mol
重原子数量 : 10
复杂度 : 122
同位素原子数量 : 0
确定原子立构中心数量 : 1
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） : 0.5
拓扑分子极性表面积 : 35.5Å²

117178-65-1(117178-65-1)相关文献

1. Radical-chain racemisation of tetrahydrofurfuryl acetate under conditions of polarity-reversal catalysis: possible implications for the radical-induced strand cleavage of DNA
Yudong Cai Chem. Commun. 1998 1145
2. Simultaneous hydrogenation and acid-catalyzed conversion of the biomass-derived furans in solvents with distinct polarities
Xun Hu,Sri Kadarwati,Yao Song,Chun-Zhu Li RSC Adv. 2016 6 4647
3. Direct Cα-heteroarylation of structurally diverse ethers via a mild N-hydroxysuccinimide mediated cross-dehydrogenative coupling reaction
Shihui Liu,Aoxia Liu,Yongqiang Zhang,Wei Wang Chem. Sci. 2017 8 4044
4. Synergistic alleviation effects of anchovy hydrolysates-catechin on scopolamine-induced mice memory deficits: the exploration of the potential relationship among gut-brain-axis
Tiantian Zhao,Chen Zhang,Saiyi Zhong,Qirong Chen,Shuo Liu,Wenjuan Jiao,Weifeng Liu,Lihua Huang,Yehui Zhang,Yousheng Zhang Food Funct. 2022 13 1563
5. Recent advances in visible light-activated radical coupling reactions triggered by (i) ruthenium, (ii) iridium and (iii) organic photoredox agents
Jonathan D. Bell,John A. Murphy Chem. Soc. Rev. 2021 50 9540
6. Metal-free photocatalytic aerobic oxidation of biomass-based furfural derivatives to prepare γ-butyrolactone
Rui Zhu,Gongyu Zhou,Jia-nan Teng,Wanying Liang,Xinglong Li,Yao Fu Green Chem. 2021 23 1758
7. The mechanism of polarity-reversal catalysis as involved in the radical-chain reduction of alkyl halides using the silane–thiol couple
Yudong Cai,Brian P. Roberts J. Chem. Soc. Perkin Trans. 2 2002 1858
8. Intermediates and products in the catalytic vapour-phase dehydration and ammonolysis of 2-hydroxymethyltetrahydrofuran over alumina
J. D. Butler,R. D. Laundon J. Chem. Soc. C 1969 173
9. Natural acetylenes. Part XXXI. C14-tetrahydropyranyl and other polyacetylenes from the compositae Dahlia coccinea Cav. var. coccinea
C. Chin,M. C. Cutler,Ewart R. H. Jones,J. Lee,S. Safe,V. Thaller J. Chem. Soc. C 1970 314
10. Polarity-reversal catalysis of hydrogen-atom abstraction reactions: concepts and applications in organic chemistry
Brian P. Roberts Chem. Soc. Rev. 1999 28 25

80373-22-4(Quinpirole) 80403-94-7(Ethanone, 1-(3-chloro-5-isoxazolyl)- (9CI)) 80405-17-0(（2S）-2-（{[（1R，7aR）-1-（乙酰氧基）-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-2-羟基-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 80405-18-1(（1S，2S）-2-羟基-2-（{[（1R，7aR）-1-羟基-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 79781-00-3(compound 80-53) 803736-82-5(5-溴-2,6-二氯喹啉) 80379-10-8((S)-1-(2-硝基苯基)乙醇) 8039-11-0(2-octyldodecan-1-ol)

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117178-65-1

117178-65-1(117178-65-1)名称与标识符

标识符

117178-65-1(117178-65-1)物化性质

计算特性

117178-65-1(117178-65-1)相关文献

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