2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷结构式

中文名称:2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷
英文名称:2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No.:171364-79-7
分子式:C13H19BO3 分子量:234.0992
2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷 数据
Mol:

    2.7939    8.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445    7.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445    9.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3088    9.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END                                
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2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷 Smile 编码:
COC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1
2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷 InChi 编码:
1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3
2-(4-甲氧基苯基)-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷 InChiKey 编码:
VFIKPDSQDNROGM-UHFFFAOYSA-N