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Compound 8
  CheckMol                        TMF02:r0:m0
MF=C7H12O4 MW=160.17
 11 10  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4866   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742   -2.2299   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -2.2299   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5603   -1.4748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310   -1.4748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463   -2.2181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428    0.0354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9407   -2.2181   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2503   -1.4630   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5599   -2.2063   -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
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END

Di Ethyl Malonate

₹ 0.00 0.00

Chemical Name - Di Ethyl Malonate
Mol Weight - 160.168
Smiles - CCOC(CC(OCC)=O)=O

Property Name	Property Value
Mol Name	Di Ethyl Malonate
Molweight	160.168
Monoisotopic Mass	160.07356
Clogp	0.5474
Clogs	-1.06
H Acceptors	4
Total Surface Area	134.8
Relative Psa	0.34184
Polar Surface Area	52.6
Druglikeness	-24.369
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.81818
Molecular Flexibility	0.70959
Molecular Complexity	0.51299
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	6
Sp3 Atoms	7
Symmetric Atoms	5
Smiles	CCOC(CC(OCC)=O)=O
InChIKey	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChI	IYXGSMUGOJNHAZ-UHFFFAOYSA-N

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Di Ethyl Malonate