92344-57-5 (2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸,Butanedioic acid, [[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-)

快速询单

结构式：

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸MOL文件

CAS号：

92344-57-5

中文名称：

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸

英文名称：

Butanedioic acid, [[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-

分子式：

C₁₃H₁₂O₈

分子量：

296.229584693909

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸(92344-57-5)名称与标识符

名称

中文别名：

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸;

英文别名：

Butanedioic acid, [[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-;2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid;CAFFEOYLMALIC ACID(AS);Butanedioic acid, 2-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-;DTXSID301031926;SCHEMBL19894754;2-O-Caffeoylmalic acid;Caffeoylmalic Acid;AKOS040734961;2-((3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)butanedioic acid;(S)-Phaselic acid;149197-97-7;2-O-(trans-caffeoyl)malic acid;Butanedioic acid, 2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-;Phaseolic acid?;(E)-2-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)succinic acid;CHEBI:169040;UNII-8EY7S5QS7D;2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid;2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxybutanedioic acid;Butanedioic acid, ((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-;Q18379746;Coumaroyl malic acid;8EY7S5QS7D;(E)-2-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)succinicacid;2-(((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)butanedioic acid;92344-57-5;CHEMBL393293;(-)-Phaselic acid;

标识符

InChIKey：

PMKQSEYPLQIEAY-DUXPYHPUSA-N

Inchi：

1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+

SMILES：

O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)C(C(=O)O)CC(=O)O

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸(92344-57-5)物化性质

计算特性

精确分子量 : 296.05321734g/mol
氢键供体数量 : 4
氢键受体数量 : 8
可旋转化学键数量 : 7
同位素质量 : 296.05321734g/mol
重原子数量 : 21
复杂度 : 430
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 : 1
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） : 0.6
拓扑分子极性表面积 : 141Å²

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70831-56-0(菊苣酸) 67879-58-7(单咖啡酰酒石酸) 39015-77-5(咖啡酰苹果酸) 53755-04-7(丁二酸，2-[[（2E）-3-（3,4-二羟基苯基）-1-氧代-2-丙烯-1-基]氧]，（2S）-) 39015-76-4(丁二酸，[[3-（4-羟基-3-甲氧基苯基）-1-氧代-2-丙烯基]氧]-) 79516-59-9((S)-3-羟基戊酸) 79600-87-6(4-phenyl-1H-pyrrole-2-carboxylic acid) 8015-96-1(肉桂油)

960化工网为您提供2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.92344-57-5,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:92344-57-5 国际站:92344-57-5

92344-57-5 (2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸,Butanedioic acid, [[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-)

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸(92344-57-5)名称与标识符

名称

标识符

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸(92344-57-5)物化性质

计算特性

2-[[3-(3,4-二羟基苯基)-1-氧代-2-丙烯-1-基]氧基]丁二酸(92344-57-5)相关文献

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