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About This Item
线性分子式:
CH3OC6H4CH2CO2CH3
CAS号:
分子量:
180.20
Beilstein:
2209665
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平
方案
97%
表单
liquid
折射率
n20/D 1.516 (lit.)
沸点
158 °C/19 mmHg (lit.)
密度
1.135 g/mL at 25 °C (lit.)
官能团
ester
SMILES字符串
COC(=O)Cc1ccc(OC)cc1
InChI
1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
InChI key
ZQYLDVNTWDEAJI-UHFFFAOYSA-N
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应用
Methyl 4-methoxyphenylacetate was used in the synthesis of 7,8-dihydroxy-2-(4′-hydroxybenzyl)-4H-1-benzopyran-4-one.
警示用语：
Warning
危险声明
危险分类
Flam. Liq. 3
储存分类代码
3 - Flammable liquids
WGK
WGK 3
闪点(°F)
96.8 °F - closed cup
闪点(°C)
36 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
Giulio Rastelli et al.
Bioorganic & medicinal chemistry, 10(5), 1427-1436 (2002-03-12)
The relative binding affinities to human aldose reductase (ALR2) of three new 7-hydroxy-2-benzyl-4H-1-benzopyran-4-one inhibitors were predicted by free energy perturbation (FEP) simulations. Molecular substitutions were specifically designed to investigate the role of hydrogen bonding at the active site of ALR2.
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