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463-15-0 (7-氰基庚-2t-烯-4,6-二insaeure,7-Cyan-hept-2t-en-4,6-diinsaeure)

结构式：

7-氰基庚-2t-烯-4,6-二insaeure结构式图片|463-15-0结构式图片

7-氰基庚-2t-烯-4,6-二insaeureMOL文件

CAS号：

463-15-0

中文名称：

7-氰基庚-2t-烯-4,6-二insaeure

英文名称：

7-Cyan-hept-2t-en-4,6-diinsaeure

分子式：

C₈H₃NO₂

分子量：

145.114921808243

相关分类：

溶剂及有机化学品 > 有机化合物 > Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids

溶剂及有机化学品 > 有机化合物 > Lipids and lipid-like molecules > Fatty Acyls > Medium-chain fatty acids

7-氰基庚-2t-烯-4,6-二insaeure(463-15-0)名称与标识符

名称

英文别名：

7-Cyan-hept-2t-en-4,6-diinsaeure;7-Cyano-2-heptene-4, 6-diynoic acid;7-cyano-hept-2t-ene-4,6-diynoic acid;(E)-7-Cyano-2-heptene-4,6-diynoic acid;463-15-0;Diatretyne II;Nudic acid B;2-HEPTENE-4,6-DIYNOIC ACID, 7-CYANO-, (E)-;DTXSID001277846;(E)-7-cyanohept-2-en-4,6-diynoic acid;Q27271268;CHEBI:185077;2-HEPTENE-4,6-DIYNOIC ACID, 7-CYANO-, (2E)-;(2E)-7-CYANOHEPT-2-EN-4,6-DIYNOIC ACID;901HZ602ZX;Diatretyne 2;7-Cyano-(E)-2-Heptene-4,6-diynoic acid;AKOS006377469;7-Cyano-trans-2-heptene-4,6-diynoic acid;DIATRETYNE II [MI];(2E)-7-Cyano-2-heptene-4,6-diynoic acid;4-02-00-02346 (Beilstein Handbook Reference);1402-35-3;Diatretin 2;DIATRETYNE NITRILE;Diatretynnitril;UNII-901HZ602ZX;BRN 1703425;

标识符

InChIKey：

DMGKNZBGIHCAMP-GQCTYLIASA-N

Inchi：

1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+

SMILES：

OC(/C=C/C#CC#CC#N)=O

7-氰基庚-2t-烯-4,6-二insaeure(463-15-0)物化性质

实验特性

折射率 : 1.588
沸点 : 301.5°C at 760 mmHg
闪点 : 136.1°C
密度 : 1.333

计算特性

精确分子量 : 145.016
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 145.016
重原子数量 : 11
复杂度 : 355
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 : 1
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
拓扑分子极性表面积 : 61.1A^2

7-氰基庚-2t-烯-4,6-二insaeure(463-15-0)相关文献

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4. Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium
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5. Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid
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6. Studies in decarboxylation. Part 14. The gas-phase decarboxylation of but-3-enoic acid and the intermediacy of isocrotonic (cis-but-2-enoic) acid in its isomerisation to crotonic (trans-but-2-enoic) acid
David B. Bigley,Michael J. Clarke J. Chem. Soc. Perkin Trans. 2 1982 1
7. I2/Cu-mediated self-sorting domino reaction of aryl β-ketoesters into symmetrical 2-carboalkoxy-1,4-enediones: application to synthesis of pyrazine, β-carboline and quinoxalines
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Leslie Crombie,Peter A. Jenkins,David A. Mitchard J. Chem. Soc. Perkin Trans. 1 1975 1081
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目录

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