MDL | MFCD00009310 |
InChIKey | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
Inchi | 1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3 |
SMILES | O(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])C([H])([H])[H])=O |
BRN | 907733 |
LogP | 2.28790 |
PSA | 26.30000 |
折射率 | n20/D 1.5465(lit.) |
沸点 | 275°C(lit.) |
熔点 | 27-29 °C (lit.) |
闪点 | 华氏:141.8 °F 摄氏:61 °C |
颜色与性状 | 白色晶体。 |
密度 | 0.937 g/mL at 25 °C(lit.) |
精确分子量 | 164.08400 |
氢键供体数量 | 0 |
氢键受体数量 | 2 |
可旋转化学键数量 | 3 |
重原子数量 | 12 |
复杂度 | 146 |
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) | 2.4 |
互变异构体数量 | 2 |
表面电荷 | 0 |
拓扑分子极性表面积 | 26.3 |
EINECS | 204-512-7 |
海关编码 | 2914509090 |
海关数据 |
中国海关编码:2914509090概述:2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途, 丙酮报明包装 Summary:HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
1.
Syntheses of 2-methoxyestradiol and eugenol template based diarylpropenes as non-steroidal anticancer agents
Vinay Pathak,Imran Ahmad,Amandeep Kaur Kahlon,Mohammad Hasanain,Sandeep Sharma,Kishore K. Srivastava,Jayanta Sarkar,Karuna Shankar,Ashok Sharma,Atul Gupta RSC Adv. 2014 4 35171
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Nickel catalyzed α-arylation of ketones with aryltrimethylammonium triflates
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Cu-Catalyzed intermolecular [3 + 3] annulation involving oxidative activation of an unreactive C(sp3)–H bond: access to pyrimidine derivatives from amidines and ketones
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A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
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Stereoselective synthesis of bulky 1,2-diols with alcohol dehydrogenases
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7.
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Guan-Wu Wang,Jie Gao Green Chem. 2012 14 1125
8.
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Lukas Muschallik,Denise Molinnus,Melanie Jablonski,Carina Ronja Kipp,Johannes Bongaerts,Martina Pohl,Torsten Wagner,Michael J. Sch?ning,Thorsten Selmer,Petra Siegert RSC Adv. 2020 10 12206
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Designed pincer ligand supported Co(ii)-based catalysts for dehydrogenative activation of alcohols: Studies on N-alkylation of amines, α-alkylation of ketones and synthesis of quinolines
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10.
Probing the mechanism of thermally driven thiol-Michael dynamic covalent chemistry
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Reaxys RN | 907733 |
Beilstein | 8(4)442 |
物理化学性质
外观性状 该品工业品为白色晶体
熔点 27-29℃
沸点 273-275 °C(lit.)
密度 0.937 g/mL at 25 °C(lit.)
闪点 142 °F
折射率 n20/D 1.5465(lit.)
产品用途
应用领域
上下游产品信息
化学品安全说明书(MSDS)
储运特性