60998-71-2 (2-丙炔酸苯酯,2-Propynoic acid, phenyl ester)

快速询单

结构式：

2-丙炔酸苯酯MOL文件

CAS号：

60998-71-2

中文名称：

2-丙炔酸苯酯

英文名称：

2-Propynoic acid, phenyl ester

分子式：

C₉H₆O₂

分子量：

146.14274263382

2-丙炔酸苯酯(60998-71-2)名称与标识符

名称

英文别名：

2-Propynoic acid, phenyl ester;phenyl prop-2-ynoate;

标识符

InChIKey：

OKTKLJDZIPARGG-UHFFFAOYSA-N

Inchi：

1S/C9H6O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7H

SMILES：

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

2-丙炔酸苯酯(60998-71-2)物化性质

实验特性

PSA : 26.3

计算特性

精确分子量 : 146.03678
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 146.036779430g/mol
重原子数量 : 11
复杂度 : 181
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） : 2
拓扑分子极性表面积 : 26.3Å²

2-丙炔酸苯酯(60998-71-2)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	询单
深圳爱拓化学有限公司	13417589054	肖小姐	2644020535		询单

2-丙炔酸苯酯(60998-71-2)相关文献

1. On the rate of hydrogenation of cinnamic and phenyl-propiolic acids
Eric Keightley Rideal Trans. Faraday Soc. 1923 19 90
2. Modern metal-catalyzed and organocatalytic methods for synthesis of coumarin derivatives: a review
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5. New frontiers in the transition-metal-free synthesis of heterocycles from alkynoates: an overview and current status
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7. Iron-catalyzed [2 + 2 + 2] cycloaddition of trifluoromethyl group substituted unsymmetrical internal alkynes
Maki Minakawa,Tomoki Ishikawa,Junya Namioka,Souichirou Hirooka,Biao Zhou,Motoi Kawatsura RSC Adv. 2014 4 41353
8. Rh-catalyzed chemo-, stereo- and regioselective C–H cascade annulation of indolyloxopropanenitriles for pyranoindoles
Ramesh Kotipalli,Undamatla Suri Babu,Jagadeesh Babu Nanubolu,Maddi Sridhar Reddy Chem. Commun. 2023 59 10137
9. Siloxy(trialkoxy)ethene undergoes regioselective [2+2] cycloaddition to ynones and ynoates en route to functionalized cyclobutenediones
Shin Iwata,Toshiyuki Hamura,Keisuke Suzuki Chem. Commun. 2010 46 5316
10. Diels–Alder reactivity of oxygenated dienes and furans. Synthesis of oxygenated biphenyls
Edward McDonald,Apichart Suksamrarn,Robert D. Wylie J. Chem. Soc. Perkin Trans. 1 1979 1893