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2-羟基肉桂酸 | 583-17-5

2-羟基肉桂酸结构式图片|583-17-5结构式图片
2-羟基肉桂酸
3-(2-Hydroxyphenyl)acrylic acid
583-17-5
C9H8O3
164.15802
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-羟基肉桂酸结构式
637540
2-羟基肉桂酸价格
名称和标识符
MDL MFCD00004379
InChIKey PMOWTIHVNWZYFI-AATRIKPKSA-N
Inchi 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
别名信息
- 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
  • trans-o-Coumaric acid
  • 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
  • trans-2-coumaric acid
  • 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)acrylic acid
  • 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
  • trans-o-Hydroxycinnamic acid
  • EINECS 210-386-4
  • (E)-3-(2-hydroxyphenyl)-acrylic acid
  • trans-2-Hydroxycinnamate
  • 2-Hydroxycinnamic acid
  • MFCD00004379
  • CINNAMIC ACID, o-HYDROXY-, (E)-
  • HY-W012531
  • trans-o-Cumaric Acid
  • CCRIS 5834
  • UNII-23AU5FZB9C
  • o-Hydroxy-trans-cinnamic acid
  • Q7072006
  • A833239
  • 2-Hydroxycinnamic acid, predominantly trans
  • DB01650
  • 2-Hydroxycinnamic acid, predominantly trans, 97%
  • O-Hydroxycinnamic acid
  • 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
  • o-Coumaric acid
  • (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
  • (E)-3-(2-Hydroxyphenyl)acrylic acid
  • cis-2-hydroxycinnamate
  • Cis-2-coumarate
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
国际标准相关数据
EINECS 209-500-5
相关文献
  • 1. Structural reorganizations accompanying the nickel(II)–nickel(I) redox change in nickel complexes with the tripodal ligand MeC(CH2PPh2)3(triphos, L). X-Ray crystal structure of [NiL(I)]2[As6I8]
    Piero Zanello,Arnaldo Cinquantini,Carlo A. Ghilardi,Stefano Midollini,Simonetta Moneti,Annabella Orlandini,Alessandro Bencini J. Chem. Soc. Dalton Trans. 1990 3761
  • 2. A reversible metal framework rearrangement in high-nuclearity osmium–platinum cluster compounds. X-Ray crystal structures of [Os6Pt(CO)17(μ3-NCMe)(C8H12)], [Os6Pt(CO)17(μ4-NCMe)(C8H12)](C8H12= cyclo-octa-1,5-diene), and [Os6(CO)19(μ3-NCMe)]: compounds with novel metal–acetonitrile bonding modes
    Christiane Couture,David H. Farrar J. Chem. Soc. Dalton Trans. 1987 2245
  • 3. Influence of heteroligands on the composition, structure and properties of homo- and heterometallic zirconium alkoxides. Decisive role of thermodynamic factors in their self-assembly
    Gulaim A. Seisenbaeva,Suresh Gohil,Vadim G. Kessler J. Mater. Chem. 2004 14 3177
专业数据库参考
PubChemId 637540
化合物详情(旧版)

SMILES

OC(=O)/C=C/C1C(O)=CC=CC=1

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