Chem Para Methoxy Phenyl Acetone

Compound 36
  CheckMol                        TMF02:r0:m0
MF=C10H12O2 MW=164.20
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    0.7581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    2.2742   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733    0.7699   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8615    2.2861   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1644    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1526    3.0560   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4555    0.8055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4437    2.3216   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7348    3.0797   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0259    2.3335   -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  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  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
  9 10 01  0  1  0  0
M  END

PARA METHOXY PHENYL ACETONE

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Chemical Name - PARA METHOXY PHENYL ACETONE
Mol Weight - 164.203
Smiles - CC(Cc(cc1)ccc1OC)=O

Property Name	Property Value
Mol Name	PARA METHOXY PHENYL ACETONE
Molweight	164.203
Monoisotopic Mass	164.08373
Clogp	1.7505
Clogs	-2.059
H Acceptors	2
Total Surface Area	139.29
Relative Psa	0.16541
Polar Surface Area	26.3
Druglikeness	-2.8318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.75
Molecular Flexibility	0.54994
Molecular Complexity	0.53648
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Smiles	CC(Cc(cc1)ccc1OC)=O
InChIKey

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PARA METHOXY PHENYL ACETONE