Chem 2 Ethylhexyl Acrylate 2mem

Compound 86
  CheckMol                        TMF02:r0:m0
MF=C11H20O2 MW=184.28
 13 12  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   -1.4876   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -2.2314   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751   -2.2314   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328   -1.4758   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620   -1.4758   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9433   -2.2196   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538   -1.4640   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9551   -3.7072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5643   -2.2078   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682   -4.4391   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8747   -1.4522   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1852   -2.1960   -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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

2-Ethylhexyl Acrylate

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Chemical Name - 2-Ethylhexyl Acrylate
Mol Weight - 184.278
Smiles - CCCCC(CC)COC(C=C)=O

Property Name	Property Value
Mol Name	2-Ethylhexyl Acrylate
Molweight	184.278
Monoisotopic Mass	184.14633
Clogp	3.2943
Clogs	-2.606
H Acceptors	2
Total Surface Area	171.61
Relative Psa	0.13426
Polar Surface Area	26.3
Druglikeness	-17.411
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.76923
Molecular Flexibility	0.66757
Molecular Complexity	0.45134
Fragments	1
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	8
Sp3 Atoms	9
Smiles	CCCCC(CC)COC(C=C)=O
InChIKey	InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
InChI	GOXQRTZXKQZDDN-UHFFFAOYSA-N

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1 - 2-Ethylhexyl Acrylate
2 - 2-Ethylhexyl Acrylate

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2-Ethylhexyl Acrylate