583-17-5 (2-羟基肉桂酸,3-(2-Hydroxyphenyl)acrylic acid)

2-羟基肉桂酸(583-17-5)名称与标识符

名称

中文别名:
2-羟基肉桂酸;反式-2-羟基肉桂酸;邻羟基肉桂酸(邻香豆酸);
英文别名:
3-(2-Hydroxyphenyl)acrylic acid;2-HYDROXYCINNAMIC ACID;2-hydroxy-cinnamic acid;3-(2-hydroxyphenyl)prop-2-enoic acid;COUMARIC ACID,2;O-COUMARIC ACID;O-CUMARIC ACID;O-HYDROXYCINNAMIC ACID;RARECHEM BK HW 0162;TRANS-2-COUMARIC ACID;TRANS-O-COUMARIC ACID;TRANS-O-CUMARIC ACID;TRANS-O-HYDROXYCINNAMIC ACID;3-(2-Hydroxyphenyl)-2-propenoic acid;CS-W013247;trans-3-(2-hydroxyphenyl)propenoic acid;614-60-8;WLN: QV1U1R BQ;(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid;AS-12449;2-Coumaric acid;(E)-2-hydroxycinnamic acid;(E)-o-Hydroxycinnamic acid;FEMA NO. 4700;TRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID;O- COUMARIC ACID;F2191-0203;trans-o-Coumarate;2-Coumarate;BDBM50146462;(E)-Coumarinic Acid;AKOS003790794;QSPL 150;(2E)-3-(2-Hydroxyphenyl)-2-propenoic acid;(E)-3-(2-hydroxyphenyl)prop-2-enoic acid;(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID;A869477;trans-o-HydroxyzimtsA currencyure;AMY4052;o-Hydroxycinnamate;NSC 32952;BRN 1100900;583-17-5;2-Propenoic acid, 3-(2-hydroxyphenyl)-;Cinnamic acid, o-hydroxy-;2-Hydroxycinnamic acid, (E)-;2-Hydroxycinnamate;2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)-;3-(2-hydroxyphenyl)prop-2-enoate;(2E)-2-hydroxycinnamic acid;o-coumarate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamic acid = o-Hydroxycinnamic acid = o-Coumaric acid;o-Hydroxy-trans-cinnamate;NSC32952;NS00014689;2-Hydroxycinnamic acid, (2E)-;(E)-3-(2-HYDROXY-PHENYL)-ACRYLIC ACID;(E)-3-(2-hydroxyphenyl)acrylic acid;EINECS 210-386-4;(E)-3-(2-hydroxyphenyl)-acrylic acid;trans-2-Hydroxycinnamate;MFCD00004379;CINNAMIC ACID, o-HYDROXY-, (E)-;HY-W012531;CCRIS 5834;UNII-23AU5FZB9C;o-Hydroxy-trans-cinnamic acid;Q7072006;A833239;2-Hydroxycinnamic acid, predominantly trans;DB01650;2-Hydroxycinnamic acid, predominantly trans, 97%;2-Hydroxycinamic acid;CHEBI:18125;(2E)-3-(2-hydroxyphenyl)acrylic acid predominately trans-;bmse000347;ortho-Hydroxycinnamate;CHEMBL52564;23AU5FZB9C;C01772;2-HYDROXYCINNAMIC ACID, TRANS-;O-TRANS-COUMARIC ACID;3-(2-hydroxyphenyl)acrylicacid;SCHEMBL64885;2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-;CHEBI:18176;90E8F55A-AB69-4720-95AF-747C2DCA5471;(E)-o-Hydroxycinnamicacid;(E)-3-(2-Hydroxyphenyl)-2-propenoic acid;CINNAMIC ACID,2-HYDROXY (TRANS);trans-o-Hydroxycinnamate;DTXSID10883240;NSC-32952;FT-0612592;2-Hydroxy Cinnamic Acid;HMS3604C08;2S0H1PX3LM;PMOWTIHVNWZYFI-UHFFFAOYSA-N;AKOS026677434;DTXSID70862233;FT-0612591;UNII-2S0H1PX3LM;ortho-Hydroxycinnamic acid;Q27102874;SY048367;EINECS 209-500-5;Orthocumarsaure;Coumaric acid;(2Z)-3-(2-hydroxyphenyl)acrylate;cis-2-hydroxycinnamate;Cis-2-coumarate;STK301745;BBL013048;ALBB-025832;

标识符

MDL:
MFCD00004379
InChIKey:
PMOWTIHVNWZYFI-AATRIKPKSA-N
Inchi:
1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
SMILES:
OC1C=CC=CC=1/C=C/C(=O)O

2-羟基肉桂酸(583-17-5)物化性质

实验特性

  • LogP : 1.49000
  • PSA : 57.53000
  • 折射率 : 1.66
  • 沸点 : 348°C at 760 mmHg
  • 熔点 : 232-233 ºC
  • 闪点 : 178.5°C
  • 溶解度 : 微溶 (4.6 g/L) (25 ºC),
  • 颜色与性状 : 白色晶体
  • 密度 : 1.329±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 164.04700
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 164.047
  • 重原子数量 : 12
  • 复杂度 : 186
  • 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) : 1.5
  • 拓扑分子极性表面积 : 57.5A^2

2-羟基肉桂酸(583-17-5)安全信息

2-羟基肉桂酸(583-17-5)国际标准相关数据

EINECS:
209-500-5

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