阿魏酸甲酯 | 22329-76-6
中文名称:
阿魏酸甲酯
英文名称:
methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CAS No.:
22329-76-6
分子式:
C1 1 H1 2 O4
分子量:
208.21058
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:阿魏酸甲酯结构式
名称和标识符
MDL
MFCD00017208
InChIKey
AUJXJFHANFIVKH-GQCTYLIASA-N
Inchi
InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
SMILES
N/A
别名信息
- 中文别名 -
(2E)-3-(4-羟基-3-甲氧基苯基)-2-丙烯酸甲酯
3-(4-羟基-3甲胺基)肉硅酸甲酯
4-氨基肉桂酸乙脂
阿魏酸甲酯
阿魏酸乙酯
- 英文别名 -
2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Methyl ferulate
2,6,10-Dodecatrienoic acid,3,7,11-trimethyl-,methyl ester
3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester
3,7,11-Trimethyl-dodeca-2,6,10-triensaeure-methylester
Farnesyl methyl ester
methyl ester of 4-hydroxy-3-methoxycinnamic acid
methyl farneosate
methyl farnesate
methyl farnesoate
Methyl-3,7,11-trimethyldodeca-2,6,10-trienoat
Methyl trans-4-hydroxy-3-methoxycinnamate
Methyl trans-ferulate
[
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]
methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
O11884
HY-W018643
Q27135838
Y98BUA66RX
bmse000609
Ferulic acid methyl ester
A918603
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
NSC74548
methyl(2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
(E)4-hydroxy-3-methoxycinnamic acid methyl ester
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
UNII-Y98BUA66RX
AI3-23713
2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate #
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester
methyl trans-ferulate
GS-3694
s5451
(E)-Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
bmse010229
AKOS003404666
methyl 4-hydroxy-3-methoxycinnamate
2309-07-1
trans-methylferulate
trans-Ferulic acid methyl ester
NSC 74548
FERULICACIDMETHYLESTER
CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER
methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
NSC-74548
Ferulic acid methylester
methyl (E)-4-hydroxy-3-methoxycinnamate
CCG-266639
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
AKOS025310509
CS-W019429
methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester
BS-48861
MFCD00017208
CHEBI:67379
EN300-28623
J-014979
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
BDBM50236705
Methyl 4'-hydroxy-3'-methoxycinnamate
(E)-4-hydroxy-3-methoxycinnamic acid methyl ester
Z18704892
4-10-00-01779 (Beilstein Handbook Reference)
(E)-Ferulic acid methyl ester
22329-76-6
4-hydroxy-3-methoxy-cinnamic acid methyl ester
4-HYDROXY-3-METHOXYCINNAMIC ACID METHYL ESTER
CHEMBL32969
BRN 2731141
methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
Methyl ferulate, (E)-
Methyl (E)-ferulate
Methyl cis-ferulate
(E)-Methyl-4-hydroxy-3-methoxycinnamate
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
物化性质
实验特性
LogP
1.58700
PSA
55.76000
沸点
338.1±27.0 ºC (760 Torr),
熔点
68 ºC
蒸气压
0.0±0.8 mmHg at 25°C
闪点
130.4±17.2 ºC,
溶解度
微溶 (2.3 g/L) (25 ºC),
颜色与性状
Oil
密度
1.204±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
208.07400
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
4
同位素质量
208.07355886g/mol
重原子数量
15
复杂度
237
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
1
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
5
表面电荷
0
拓扑分子极性表面积
55.8Ų
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