40002-23-1 (1,5-环己二烯-1-羧酸,1,5-Cyclohexadiene-1-carboxylicacid)

快速询单

结构式：

1,5-环己二烯-1-羧酸MOL文件

CAS号：

40002-23-1

中文名称：

1,5-环己二烯-1-羧酸

英文名称：

1,5-Cyclohexadiene-1-carboxylicacid

分子式：

C₇H₈O₂

分子量：

124.137222290039

1,5-环己二烯-1-羧酸(40002-23-1)名称与标识符

名称

英文别名：

1,5-Cyclohexadiene-1-carboxylicacid;cyclohexa-1,5-diene-1-carboxylic acid;Q27121575;1,5-Cyclohexadiene-1-carboxylic acid;CHEBI:49262;AKOS006379389;SCHEMBL149091;40002-23-1;DTXSID50960483;

标识符

InChIKey：

QXHJRNVPNQKMLR-UHFFFAOYSA-N

Inchi：

1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H,8,9)

SMILES：

OC(C1C=CCCC=1)=O

1,5-环己二烯-1-羧酸(40002-23-1)物化性质

计算特性

精确分子量 : 124.052
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 124.052
重原子数量 : 9
复杂度 : 177
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） : 1.4
拓扑分子极性表面积 : 37.3Å²

1,5-环己二烯-1-羧酸(40002-23-1)相关文献

1. Synthesis based on cyclohexadienes. Part 8. Synthesis of 1-methylbicyclo[2.2.2]oct-2-enecarboxylate derivatives
G. S. R. Subba Rao,K. Vijaya Bhaskar J. Chem. Soc. Perkin Trans. 1 1993 2333
2. Synthesis based on cyclohexadienes. Part 8. Synthesis of 1-methylbicyclo[2.2.2]oct-2-enecarboxylate derivatives
G. S. R. Subba Rao,K. Vijaya Bhaskar J. Chem. Soc. Perkin Trans. 1 1993 2333
3. 321. Reduction by dissolving metals. Part VII. The reactivity of mesomeric anions in relation to the reduction of benzene rings
Arthur J. Birch J. Chem. Soc. 1950 1551
4. Colonic catabolism of dietary phenolic and polyphenolic compounds from Concord grape juice
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5. Inhibition of 2-oxoglutarate dependent oxygenases
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6. Phenolic compounds that cross the blood–brain barrier exert positive health effects as central nervous system antioxidants
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7. Enantiopure arene dioxides: chemoenzymatic synthesis and application in the production of trans-3,4-dihydrodiols
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8. Separation and determination of protocatechuic aldehyde and protocatechuic acid in Salivia miltorrhrza by capillary electrophoresis with amperometric detection
Yaling Pan,Lan Zhang,Guonan Chen Analyst 2001 126 1519
9. Impact of daily strawberry consumption on blood pressure and arterial stiffness in pre- and stage 1-hypertensive postmenopausal women: a randomized controlled trial
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40002-23-1 (1,5-环己二烯-1-羧酸,1,5-Cyclohexadiene-1-carboxylicacid)

1,5-环己二烯-1-羧酸(40002-23-1)名称与标识符

名称

标识符

1,5-环己二烯-1-羧酸(40002-23-1)物化性质

计算特性

1,5-环己二烯-1-羧酸(40002-23-1)相关文献

目录