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2-METHOXY-5-METHYLPHENOL
2-METHOXY-5-METHYLPHENOL
ID: BP-11158
CAS:1195-09-1
Supplier:BroadPharm

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SMILES:c1(c(ccc(c1)C)OC)O	
FORMULA: C8H10O2
MASS: 138.1638
EXACT MASS: 138.0680796
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4250     0.0000 
   C   3    1.4375     2.4838     0.0000 
   C   4    2.4750     1.4393     2.8622     0.0000 
   C   5    2.4735     2.8625     1.4238     2.4735     0.0000 
   O   6    1.4414     2.4750     2.4957     3.7908     3.7927     0.0000 
   C   7    2.8622     2.4920     2.4750     1.4375     1.4238     4.3036 
   O   8    2.4813     1.4418     3.8000     2.5019     4.3043     2.8514 
   C   9    3.7845     4.2958     2.4720     3.7818     1.4333     4.9677 
   C  10    2.8626     2.4798     4.3001     3.7978     5.1600     2.4636 

              C   7      O   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   O   8    3.8136     0.0000 
   C   9    2.4678     5.7376     0.0000 
   C  10    4.9718     1.4218     6.5601     0.0000 



ATOMIC CHARGES
   C   1    0.2289641232
   C   2    0.1773458372
   C   3    0.0409648775
   C   4    0.0399009400
   C   5   -0.0184674095
   O   6   -0.2833338842
   C   7   -0.0009350232
   O   8   -0.4681979132
   C   9    0.0311345285
   C  10    0.2526239237


BOND ANGLES
   2    1    3  Car  Car  Car    120.387
   2    1    6  Car  Car   O3    119.415
   3    1    6  Car  Car   O3    120.197
   1    2    4  Car  Car  Car    119.560
   1    2    8  Car  Car   O3    119.890
   4    2    8  Car  Car   O3    120.550
   1    3    5  Car  Car  Car    119.642
   2    4    7  Car  Car  Car    120.053
   3    5    7  Car  Car  Car    120.716
   3    5    9  Car  Car   C3    119.810
   7    5    9  Car  Car   C3    119.474
   4    7    5  Car  Car  Car    119.642
   2    8   10  Car   O3   C3    119.992


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   8    2    1    3    179.974
   8    2    1    6      0.026
   5    3    1    2      0.026
   5    3    1    6    179.974
   7    4    2    1      0.026
   7    4    2    8    179.974
   7    5    3    1      0.026
   9    5    3    1    179.974
   4    7    5    3      0.026
   4    7    5    9    179.974
  10    8    2    1      0.026
  10    8    2    4    179.974
   5    7    4    2      0.026