Chem 34 Dimethoxy Phenylacetone

Compound 70
  CheckMol                        TMF02:r0:m0
MF=C11H14O3 MW=194.23
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    0.7563   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    2.2688   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    0.7681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8523    2.2806   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1521    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1403    3.0487   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4401    0.7917   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1285    4.5613   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4283    2.3043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4165    5.3293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7163    3.0724   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045    4.5849   -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  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

3,4-Dimethoxy Phenylacetone

₹ 0.00 0.00

Chemical Name - 3,4-Dimethoxy Phenylacetone
Mol Weight - 194.229
Smiles - CC(Cc(cc1)cc(OC)c1OC)=O

Property Name	Property Value
Mol Name	3,4-Dimethoxy Phenylacetone
Molweight	194.229
Monoisotopic Mass	194.094295
Clogp	1.6805
Clogs	-2.077
H Acceptors	3
Total Surface Area	161.55
Relative Psa	0.20452
Polar Surface Area	35.53
Druglikeness	-2.8318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.64286
Molecular Flexibility	0.54679
Molecular Complexity	0.626
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Smiles	CC(Cc(cc1)cc(OC)c1OC)=O
InChIKey	InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3
InChI	UMYZWICEDUEWIM-UHFFFAOYSA-N

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3,4-Dimethoxy Phenylacetone