Chem 1 45 Dimethoxy 2 Nitrophenylethanone AlkaliMetal

Compound 281
  CheckMol                        TMF02:r0:m0
MF=C10H11NO5 MW=225.20
 16 16  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4974   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2342   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2461   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2716   -3.7435   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5788   -1.4855   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5669   -4.4803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8742   -2.2342   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0594   -5.9777   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -3.7197   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623   -3.7197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1696   -1.4736   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1577   -4.4684   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649   -2.2104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4530   -3.7078   -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
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12 02  0  1  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 12 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone

₹ 0.00 0.00

Chemical Name - 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone
Mol Weight - 225.199
Smiles - CC(c(cc(c(OC)c1)OC)c1[N+]([O-])=O)=O

Property Name	Property Value
Mol Name	1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone
Molweight	225.199
Monoisotopic Mass	225.063724
Clogp	0.4692
Clogs	-2.796
H Acceptors	6
Total Surface Area	171.46
Relative Psa	0.37012
Polar Surface Area	81.35
Druglikeness	-6.7363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.49885
Molecular Complexity	0.77181
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Acidic Oxygens	1
Smiles	CC(c(cc(c(OC)c1)OC)c1[N+]([O-])=O)=O
InChIKey	InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3
InChI	ZVLFGESHYMKNQP-UHFFFAOYSA-N

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1 - 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone
2 - 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone

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1-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone