115610-29-2 (咖啡酸苯乙酯,Cape)

咖啡酸苯乙酯(115610-29-2)名称与标识符

名称

中文别名:
咖啡酸苯乙酯;3,4-二羟基-反式-肉桂酸苯乙酯;咖啡酸苯基乙酯;咖啡酸苯乙酯[E型];
英文别名:
Cape;Phenethyl caffeiate;3,4-Dihydroxy-trans-cinnamic acid phenethyl ester;(E)-phenethyl 3-(3,4-dihydroxyphenyl) acrylate;2-propenoic acid;3-(3,4-dihydroxyphenyl)-,2-phenethyl ester;Caffeic Acid 2-Phenylethyl Ester;CAFFEIC ACID PHENETHYL ESTER;caffeic acid phenylethyl ester;CAFFEICACIDPHENYLETHERESTER;CAPE,PhenethylCaffeate;KAFFEESUREPHENYLETHYLESTER;PHEN;PHENYLETHYL CAFFEATE;phenylethyl ester of caffeic acid;PRO0324;PHENETHYL 3,4-DIHYDROXYCINNAMATE;structural maintenance of chromosomes 2;Anti-SMC2 (C-terminal) antibody produced in goat;(βE)-3,4-Dihydroxybenzeneacrylic acid phenethyl ester;Caffeic acid beta-phenylethyl ester;SR-01000075785-6;115610-29-2;Phenethyl (E)-caffeate;2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-;HMS3260F20;caffeic acid phenethylester;2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate;SR-01000075785-9;Phenylethyl caffeate, (E)-;s7414;HMS1791N22;(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester;104594-70-9;SR-01000075785-1;Phenylethyl 3,4-dihydroxycinnamate;NCGC00260954-01;HMS1361N22;(E)-phenethyl3-(3,4-dihydroxyphenyl)acrylate;FR102;CCG-39542;BSPBio_003586;C-1400;Caffeic acid phenethyl ester, >=97% (HPLC), powder;NCGC00093727-02;MLS000859889;DTXSID80861176;CHEBI:93478;BSPBio_001560;NCGC00093727-06;AC-8896;HMS1989N22;MLS002207297;caffeic acidphenethylester;BRD-K84709232-001-02-6;2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate;Phenethyl caffeate;BRD-K96188950-001-04-5;2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate;PHENETHYL CAFFEATE (CAPE);UNII-G960R9S5SK;phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;NCGC00093727-05;AS-14021;EU-0100269;Tox21_500269;caffeic-acid-phenethyl-ester;C 8221;MFCD00866470;HY-N0274;NCGC00093727-04;Capeee;LP00269;HMS2233J04;3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester;NCGC00093727-07;AKOS015888207;CHEMBL319244;2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;Caffeic acid ester;2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester;NCGC00093727-03;PHENETHYL CAFFEATE [INCI];SPECTRUM1502209;NCGC00093727-08;Methanone, 1,1'-(1,2-cyclopropanediyl)bis[1-phenyl-;LS-14562;Caffeic acid-phenylethyl ester;Lopac0_000269;BDBM50029207;NCGC00093727-01;Trans-Caffeic Acid Phenethyl Ester;(E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate;2-phenylethyl caffeate;SDCCGSBI-0050257.P002;Caffeic acid phenethyl ester(CAPE);phenethyl 3-(3,4-dihydroxyphenyl)acrylate;SW219156-1;BRD-K96188950-001-02-9;HMS3402N22;caffeic acid phenylethylester;2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate;CS-0008774;SMR000326751;3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester;Q15410860;IDI1_034030;HMS3413D22;100981-80-4;QTL1_000016;HMS3649C16;G960R9S5SK;BCP27877;QAP;CHEBI:8062;HMS3677D22;NCGC00093727-09;NCGC00093727-16;SR-01000075785;Caffeic acid phenethyl esterCAPE; Phenylethyl caffeate;Caffeic acid-phenethyl ester;BRD-K96188950-001-15-1;1ST14259;BRD-K96188950-001-16-9;

标识符

MDL:
MFCD00866470
InChIKey:
SWUARLUWKZWEBQ-VQHVLOKHSA-N
Inchi:
1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
SMILES:
O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)CCC1C=CC=CC=1

咖啡酸苯乙酯(115610-29-2)物化性质

实验特性

  • 折射率 : 1.645
  • 沸点 : 498.6°C at 760 mmHg
  • 闪点 : 185.1°C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.266

计算特性

  • 精确分子量 : 284.104859
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 284.104859
  • 重原子数量 : 21
  • 复杂度 : 347
  • 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) : 无
  • 互变异构体数量 : 16
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 66.8

咖啡酸苯乙酯(115610-29-2)安全信息

咖啡酸苯乙酯(115610-29-2)推荐厂家 更多厂家(25)

咖啡酸苯乙酯(115610-29-2)相关文献