5732-10-5 ((buta-2,3-dienoic acid)

快速询单

结构式：

buta-2,3-dienoic acidMOL文件

CAS号：

5732-10-5

英文名称：

buta-2,3-dienoic acid

分子式：

C₄H₄O₂

分子量：

84.0733613967896

buta-2,3-dienoic acid(5732-10-5)名称与标识符

名称

英文别名：

buta-2,3-dienoic acid;methyleneacrylate;Butadiensaeure;butadienoic acid;but-2,3-dienoic acid;2,3-butadienoic acid;;buta-2,3-dienoicacid;AT41750;NoName_1645;2,3-butadienoic acid;InChI=1/C4H4O2/c1-2-3-4(5)6/h3H,1H2,(H,5,6;EN300-1067093;AKOS006380871;5732-10-5;DTXSID90902403;

标识符

InChIKey：

OEERVMZUZNHHHK-UHFFFAOYSA-N

Inchi：

1S/C4H4O2/c1-2-3-4(5)6/h2-3H,1H2

SMILES：

[O-]C([CH+]C=C)=O

buta-2,3-dienoic acid(5732-10-5)物化性质

实验特性

LogP : 0.41210
PSA : 37.30000

计算特性

精确分子量 : 84.02110
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 84.021129366Da
重原子数量 : 6
复杂度 : 60.4
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） : 1.2
拓扑分子极性表面积 : 40.1Å²

buta-2,3-dienoic acid(5732-10-5)上下游

二氧化碳 1,2-Propadiene, 1-iodo- 丙二烯

buta-2,3-dienoic acid(5732-10-5)相关文献

1. Reduction of allenes and acetylenes by catalytic and chemical methods: ‘molecular queueing’ effects in competitive hydrogenation
Leslie Crombie,Peter A. Jenkins,John Roblin J. Chem. Soc. Perkin Trans. 1 1975 1099
2. Studies in decarboxylation. Part IX. The gas-phase pyrolysis of some acids containing two double bonds
David B. Bigley,Richard H. Weatherhead J. Chem. Soc. Perkin Trans. 2 1976 704
3. The Curie point pyrolysis and electron impact induced decarboxylation of but-3-ynoic acid and buta-2,3-dienoic acid studied by tandem mass spectrometry
Jan W. Dallinga,Nico M. M. Nibbering,A. J. Henk Boerboom J. Chem. Soc. Perkin Trans. 2 1983 281
4. 843. The reaction of sodamide with αβ-acetylenic acids and their derivatives
J. Cymerman Craig,M. Moyle J. Chem. Soc. 1963 4402
5. Heterogeneous catalytic hydrogenation of allenes over supported palladium: selectivity, stereoselectivity, and regioselectivity
Leslie Crombie,Peter A. Jenkins,David A. Mitchard J. Chem. Soc. Perkin Trans. 1 1975 1081
6. Researches on acetylenic compounds. Part XLV. The alkaline isomerisation of but-3-ynoic acid
G. Eglinton,E. R. H. Jones,G. H. Mansfield,M. C. Whiting J. Chem. Soc. 1954 3197
7. 930. Researches on acetylenic compounds. Part LVII. A general synthesis of allenic acids
E. R. H. Jones,G. H. Whitham,M. C. Whiting J. Chem. Soc. 1957 4628
8. Cycloadditions. Part III. Steric effects in the addition of 2-diazopropane to conjugated allenic esters and nitriles
S. D. Andrews,A. C. Day,R. N. Inwood J. Chem. Soc. C 1969 2443
9. Molecular queueing in catalytic hydrogenation
L. Crombie,P. A. Jenkins J. Chem. Soc. D 1969 394
10. 786. Researches on acetylenic compounds. Part LII. The preparation and anomalous absorption spectra of some bicyclo[2 : 2 : 1]-heptane derivatives
E. R. H. Jones,G. H. Mansfield,M. C. Whiting J. Chem. Soc. 1956 4073