165380-12-1 (methyl 2-(2-hydroxyphenoxy)acetate,2-(2-Hydroxyphenoxy)-acetic Acid Methyl Ester)

CAS号:
165380-12-1
中文名称:
methyl 2-(2-hydroxyphenoxy)acetate
英文名称:
2-(2-Hydroxyphenoxy)-acetic Acid Methyl Ester
分子式:
C9H10O4
分子量:
182.173303127289

methyl 2-(2-hydroxyphenoxy)acetate(165380-12-1)名称与标识符

名称

中文别名:
methyl 2-(2-hydroxyphenoxy)acetate;
英文别名:
Methyl 2-(2-hydroxyphenoxy)acetate;Enamine_001369;methyl (2-hydroxyphenoxy)acetate;HMS1397O05;(2-hydroxyphenoxy)acetic acid methyl ester;CTK0E5743;(2-Hydroxy-phenoxy)-essigsaeure-methylester;methyl (o-hydroxyphenoxy)acetate;(2-hydroxy-phenoxy)-acetic acid methyl ester;2-(methoxycarbonyl)methoxyphenol;Acetic acid, (2-hydroxyphenoxy)-, methyl ester;AC1M51YQ;SureCN6243487;Enamine_001369; methyl (2-hydroxyphenoxy)acetate; HMS1397O05; (2-hydroxyphenoxy)acetic acid methyl ester; CTK0E5743; (2-Hydroxy-phenoxy)-essigsaeure-methylester; methyl (o-hydroxyphenoxy)acetate; (2-hydroxy-phenoxy)-acetic acid methyl ester; 2-(methoxycarbonyl)methoxyphenol; Acetic acid, (2-hydroxyphenoxy)-, methyl ester; AC1M51YQ; SureCN6243487;;DTXSID50368066;YOJLZPHKKRLRIT-UHFFFAOYSA-N;J-505645;2-(2-Hydroxy-phenoxy)-acetic acid methyl ester;Acetic acid, 2-(2-hydroxyphenoxy)-, methyl ester;165380-12-1;SCHEMBL6243487;AKOS017268683;

标识符

InChIKey:
YOJLZPHKKRLRIT-UHFFFAOYSA-N
Inchi:
1S/C9H10O4/c1-12-9(11)6-13-8-5-3-2-4-7(8)10/h2-5,10H,6H2,1H3
SMILES:
O(CC(=O)OC)C1C=CC=CC=1O

methyl 2-(2-hydroxyphenoxy)acetate(165380-12-1)物化性质

实验特性

  • PSA : 55.76

计算特性

  • 精确分子量 : 182.0579
  • 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 : 182.05790880g/mol
  • 重原子数量 : 13
  • 复杂度 : 169
  • 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 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 拓扑分子极性表面积 : 55.8Ų