Methylammonium 2-(4-chloro-2-methylphenoxy)propionate结构式

Methylammonium 2-(4-chloro-2-methylphenoxy)propionate
英文名称:Methylammonium 2-(4-chloro-2-methylphenoxy)propionate
CAS No.:94133-75-2
分子式:C10H10O3Cl-.CH6N+ 分子量:245.70264
Methylammonium 2-(4-chloro-2-methylphenoxy)propionate 数据
Mol:
0    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6110    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2513    3.9250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  2  1  0  0  0  0
  4 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  1  10  -1
M  CHG  1  16   1
M  END                                
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Methylammonium 2-(4-chloro-2-methylphenoxy)propionate Smile 编码:
ClC1C=CC(OC(C)C([O-])=O)=C(C)C=1.C[NH3+]
Methylammonium 2-(4-chloro-2-methylphenoxy)propionate InChi 编码:
InChI=1S/C10H11ClO3.CH5N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-2/h3-5,7H,1-2H3,(H,12,13);2H2,1H3
Methylammonium 2-(4-chloro-2-methylphenoxy)propionate InChiKey 编码:
SVKZQCGVVBFFRE-UHFFFAOYSA-N