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Compound 22
  CheckMol                        TMF02:r0:m0
MF=C10H10O2 MW=162.19
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    1.4413   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666    1.9139   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4489    2.6700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    3.4261   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1544    1.1696   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.4253    3.8987   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426    4.1822   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4421    1.9375   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4303    3.4379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.7180    4.1940   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    3.4497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7  1  0  1  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  7  1  0  1  0  0
  9 10 01  0  1  0  0
M  END

5-Methoxy-1-Indanone

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Chemical Name - 5-Methoxy-1-Indanone
Mol Weight - 162.187
Smiles - COc(cc1)cc(CC2)c1C2=O

Property Name	Property Value
Mol Name	5-Methoxy-1-Indanone
Molweight	162.187
Monoisotopic Mass	162.06808
Clogp	1.8536
Clogs	-2.637
H Acceptors	2
Total Surface Area	127.29
Relative Psa	0.181
Polar Surface Area	26.3
Druglikeness	-1.7243
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.18263
Molecular Complexity	0.73445
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Smiles	COc(cc1)cc(CC2)c1C2=O
InChIKey	InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3
InChI	QOPRWBRNMPANKN-UHFFFAOYSA-N

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5-Methoxy-1-Indanone