3368-16-9 (α-苯基-顺-肉桂酸,Benzeneacetic acid, a-(phenylmethylene)-)

CAS号:
3368-16-9
中文名称:
α-苯基-顺-肉桂酸
英文名称:
Benzeneacetic acid, a-(phenylmethylene)-
分子式:
C15H12O2
分子量:
224.254584312439

α-苯基-顺-肉桂酸(3368-16-9)名称与标识符

名称

中文别名:
α-苯基-顺-肉桂酸;苯可丁酸乙酸酯;
英文别名:
Benzeneacetic acid, a-(phenylmethylene)-;2-Propenoic acid, 2,3-diphenyl-;2,3-Diphenyl-2-propenoic acid;2-Phenylcinnamic acid;Acrylic acid, 2,3-diphenyl-;Atropic acid, βBenzeneacetic acid, α-(phenylmethylene)-;Cinnamic acid, α-phenyl-;-phenyl-;α-Stilbenecarboxylic acid;NSC-83528;NSC40614;Acrylic acid,3-diphenyl-, (E)-;(E)-2,3-DIPHENYL-2-PROPENOIC ACID;BDBM50429337;NS00041107;.alpha.-Phenylcinnamic acid;Benzeneacetic acid, alpha-(phenylmethylene)-;NSC 83528;MLS000737021;D92103;UNII-0PKH62904B;alpha-Phenylcinnamic acid, 97%;.alpha.-Stilbenecarboxylic acid;NSC83528;(E)-phenylcinnamic acid;MFCD00004252;alpha-Phenyl-trans-cinnamic acid;EINECS 202-069-4;ACRYLIC ACID, 2,3-DIPHENYL-, TRANS-;DTXSID00871015;2,3-diphenyl-acrylic acid;.alpha.-Phenylcinnamic acid, (E)-;(E)-2,3-diphenylprop-2-enoic acid;.ALPHA.-PHENYLCINNAMIC ACID [MI];trans-.alpha.-Phenylcinnamic acid;2,3-diphenylacrylic acid;Atropic acid, .beta.-phenyl-;STR05165;CS-0259613;.alpha.,.beta.-Diphenyl acrylic acid, trans-;trans-Stilbene-.alpha.-carboxylic acid;(2E)-2,3-diphenylacrylic acid;alpha-Phenylcinnamic acid, (E)-;(2E)-2,3-diphenylprop-2-enoic acid;(2E)-2,3-Diphenyl-2-propenoic acid #;.ALPHA.-PHENYLCINNAMIC ACID TRANS-FORM [MI];trans-2,3-Diphenylpropenoic acid;AKOS002286967;2-Propenoic acid,3-diphenyl-;EN300-17442;(E)-.alpha.-Stilbenecarboxylic acid;Benzeneacetic acid, .alpha.-(phenylmethylene)-;(E)-.alpha.-Phenylcinnamic acid;Z56934842;2,3-diphenylprop-2-enoic acid;trans-2,3-Diphenylacrylic acid;3368-16-9;Benzeneacetic acid, .alpha.-(phenylmethylene)-, (E)-;Q4734916;91-48-5;alpha-Phenylcinnamicacid;CHEMBL1980291;.alpha.-Phenylcinnamic acid (cis-form);(E)-2,3-Diphenylacrylic Acid;alpha-Phenylcinnamic acid;Cinnamic acid, .alpha.-phenyl-;.alpha.-Phenylcinnamic acid (trans-form);Benzeneacetic acid, (E)-;cis-Stilbene-.alpha.-carboxylic acid;cis-alpha-Phenylcinnamic acid;Acrylic acid,3-diphenyl-;NSC 40614;NSC-40614;TRANS-2,3-DIPHENYL-2-PROPENOIC ACID;alpha-Phenylcinnamate;(E)-2,3-diphenyl-acrylic acid;0PKH62904B;(e)-alpha-phenylcinnamic acid;EN300-7372860;(E)-2,3-Diphenylpropenoic acid;E-2,3-diphenylpropenoic acid;Acrylic acid, 2,3-diphenyl-, (E)-;

标识符

InChIKey:
BIDDLDNGQCUOJQ-SDNWHVSQSA-N
Inchi:
1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
SMILES:
OC(/C(=C/C1C=CC=CC=1)/C1C=CC=CC=1)=O

α-苯基-顺-肉桂酸(3368-16-9)物化性质

实验特性

  • LogP : 3.31180
  • PSA : 37.3
  • 折射率 : 1.6600 (estimate)
  • 沸点 : 325.66°C (rough estimate)
  • 熔点 : 172.5°C
  • 闪点 : 239.8°C
  • 颜色与性状 : 淡 黄色粉末
  • 密度 : 1.1139 (rough estimate)

计算特性

  • 精确分子量 : 224.08376
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 224.084
  • 重原子数量 : 17
  • 复杂度 : 281
  • 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) : 3.5
  • 拓扑分子极性表面积 : 37.3A^2