MDL | MFCD00004388 |
InChIKey | YTFVRYKNXDADBI-UHFFFAOYSA-N |
Inchi | 1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14) |
SMILES | O=C(C=CC1C=C(OC)C(OC)=C(OC)C=1)O |
BRN | 153783 |
LogP | 1.81020 |
PSA | 64.99000 |
折射率 | 1.4571 (estimate) |
沸点 | 396.4℃ at 760 mmHg |
熔点 | 125-127 °C (lit.) |
闪点 | 151.5℃ |
溶解度 | 3040 mg/L @ 25 °C (est) |
颜色与性状 | White cryst. |
溶解性 | 溶于热水和氯仿。 |
密度 | 1.1416 (rough estimate) |
精确分子量 | 238.08400 |
氢键供体数量 | 1 |
氢键受体数量 | 5 |
可旋转化学键数量 | 5 |
同位素质量 | 238.084124 |
重原子数量 | 17 |
复杂度 | 262 |
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) | 1.4 |
表面电荷 | 0 |
拓扑分子极性表面积 | 65 |
分子量 | 238.24 |
EINECS | 66175 |
海关编码 | 2916399090 |
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% |
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:3 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件:
合成路线:2 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:2 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:2 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
合成路线:3 步
反应条件: 查看详情
合成路线:4 步
反应条件: 查看详情
合成路线:1 步
反应条件: 查看详情
1.
Phenolic composition of 91 Australian apple varieties: towards understanding their health attributes
Catherine P. Bondonno,Nicola P. Bondonno,Sujata Shinde,Armaghan Shafaei,Mary C. Boyce,Ewald Swinny,Steele R. Jacob,Kevin Lacey,Richard J. Woodman,Kevin D. Croft,Michael J. Considine,Jonathan M. Hodgson Food Funct. 2020 11 7115
2.
Pyrazole–oxadiazole conjugates: synthesis, antiproliferative activity and inhibition of tubulin polymerization
Ahmed Kamal,Anver Basha Shaik,Sowjanya Polepalli,Vangala Santosh Reddy,G. Bharath Kumar,Soma Gupta,K. V. S. Rama Krishna,Ananthamurthy Nagabhushana,Rakesh K. Mishra,Nishant Jain Org. Biomol. Chem. 2014 12 7993
3.
Development of a rotatory and continuous liquid–liquid extraction technique for phenolic compounds in wine
E. R. Brú,C. G. Barroso,R. Cela,J. A. Pérez-Bustamante Analyst 1996 121 297
4.
The efficient and selective catalytic oxidation of para-substituted cinnamic acid derivatives by the cytochrome P450 monooxygenase, CYP199A4
Rebecca R. Chao,James J. De Voss,Stephen G. Bell RSC Adv. 2016 6 55286
5.
Recent advances in research on lignans and neolignans
Rémy Bertrand Teponno,Souvik Kusari,Michael Spiteller Nat. Prod. Rep. 2016 33 1044
6.
Development and substrate specificity screening of an in vivo biosensor for the detection of biomass derived aromatic chemical building blocks
Leopoldo F. M. Machado,Neil Dixon Chem. Commun. 2016 52 11402
7.
Synthesis and biological evaluation of novel fumagillin and ovalicin analogues
Ralph Mazitschek,Axel Huwe,Athanassios Giannis Org. Biomol. Chem. 2005 3 2150
8.
Structural modification of oridonin via DAST induced rearrangement
Dong-Dong Luo,Kai Peng,Jia-Yu Yang,Pawinee Piyachaturawat,Witchuda Saengsawang,Lei Ao,Wan-Zhou Zhao,Yu Tang,Sheng-Biao Wan RSC Adv. 2018 8 29548
9.
Chlorogenic acids and the acyl-quinic acids: discovery, biosynthesis, bioavailability and bioactivity
Michael?N. Clifford,Indu B. Jaganath,Iziar A. Ludwig,Alan Crozier Nat. Prod. Rep. 2017 34 1391
10.
Potential of hyphenated ultra-high performance liquid chromatography-scheduled multiple reaction monitoring algorithm for large-scale quantitative analysis of traditional Chinese medicines
Qingqing Song,Yuelin Song,Na Zhang,Jun Li,Yong Jiang,Kerong Zhang,Qian Zhang,Pengfei Tu RSC Adv. 2015 5 57372
PubChemId | 735755 |
Beilstein | 10,509 |