9-(4-Methoxyphenyl)xanthen-9-ol
  -molcms-05302621092D

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   -0.1736    0.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588    1.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9324    2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057   -0.3008    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11  2  1  0  0  0  0
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 12 13  1  0  0  0  0
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  2 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 16  2  0  0  0  0
M  END
>  <ProductName>
9-(4-Methoxyphenyl)xanthen-9-ol

>  <CASNumber>
94465-25-5

>  <MolecularFormula>
C20H16O3

>  <MDLNo>
MFCD00671561

>  <MolWt>
304.34

>  <BoilingPoint>
463.8��C at 760 mmHg

>  <MeltingPoint>
122.0 to 127.0 deg-C

>  <MolFile>


>  <Smiles>
OC1(C2C(=CC=CC=2)OC2C1=CC=CC=2)C1C=CC(OC)=CC=1

$$$$