| MDL | MFCD00004372 |
| InChIKey | KJRRTHHNKJBVBO-AATRIKPKSA-N |
| Inchi | 1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+ |
| SMILES | ClC1=C([H])C([H])=C([H])C([H])=C1/C(/[H])=C(\[H])/C(=O)O[H] |
| BRN | 1365198 |
| LogP | 2.43780 |
| PSA | 37.30000 |
| 折射率 | 1.5426 (estimate) |
| 沸点 | 260.71°C (rough estimate) |
| 熔点 | 210.0 to 213.0 deg-C |
| 闪点 | 148.3℃ |
| 颜色与性状 | White powder |
| 酸度系数(pKa) | 4.23(at 25℃) |
| 密度 | 1.2377 (rough estimate) |
| 精确分子量 | 182.01300 |
| 氢键供体数量 | 1 |
| 氢键受体数量 | 2 |
| 可旋转化学键数量 | 2 |
| 同位素质量 | 182.013457 |
| 重原子数量 | 12 |
| 复杂度 | 189 |
| 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） | 2.5 |
| 拓扑分子极性表面积 | 37.3 |
| EINECS | 4792 |
| 海关编码 | 2942000000 |
| 海关数据 |
中国海关编码：2916399090概述：2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% 申报要素：品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装 Summary：2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
1.
Reduction of nitro- and nitroso-compounds by tervalent phosphorus reagents
J. I. G. Cadogan Q. Rev. Chem. Soc. 1968 22 222
2.
The acid-mediated ring opening reactions of α-aryl-lactams
Frank D. King,Stephen Caddick Org. Biomol. Chem. 2012 10 3244
3.
Design, synthesis, in vitro and in vivo evaluation of tacrine–cinnamic acid hybrids as multi-target acetyl- and butyrylcholinesterase inhibitors against Alzheimer's disease
Yao Chen,Hongzhi Lin,Jie Zhu,Kai Gu,Qi Li,Siyu He,Xin Lu,Renxiang Tan,Yuqiong Pei,Liang Wu,Yaoyao Bian,Haopeng Sun RSC Adv. 2017 7 33851
4.
Design, synthesis, in vitro and in vivo evaluation of tacrine–cinnamic acid hybrids as multi-target acetyl- and butyrylcholinesterase inhibitors against Alzheimer's disease
Yao Chen,Hongzhi Lin,Jie Zhu,Kai Gu,Qi Li,Siyu He,Xin Lu,Renxiang Tan,Yuqiong Pei,Liang Wu,Yaoyao Bian,Haopeng Sun RSC Adv. 2017 7 33851
| PubChemId | 87566019 |
| Reaxys RN | 2043988 |
| Beilstein | 9,594 |
物理化学性质
熔点
209-212 ºC
产品用途
用于有机合成
