Chem 2 Ethoxy Benzoic Acid Ethyl Ester

Compound 23
  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
    1.2893    0.7570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786    0.0237   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775    2.2710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8679    0.7807   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    3.0399   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0281   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1572    0.0473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560    2.3065   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    4.5539   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5421   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1453    3.0754   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420    5.3109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4346    2.3420   -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 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  9 12  1  0  0  0  0
 10 13 02  0  1  0  0
 12 14  1  0  0  0  0
 11 13 01  0  1  0  0
M  END

2-Ethoxy Benzoic Acid Ethyl Ester

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Chemical Name - 2-Ethoxy Benzoic Acid Ethyl Ester
Mol Weight - 194.229
Smiles - CCOC(c(cccc1)c1OCC)=O

Property Name	Property Value
Mol Name	2-Ethoxy Benzoic Acid Ethyl Ester
Molweight	194.229
Monoisotopic Mass	194.094295
Clogp	2.3152
Clogs	-2.375
H Acceptors	3
Total Surface Area	163.05
Relative Psa	0.20264
Polar Surface Area	35.53
Druglikeness	-5.4625
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.64286
Molecular Flexibility	0.47302
Molecular Complexity	0.62778
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Smiles	CCOC(c(cccc1)c1OCC)=O
InChIKey	InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChI	OUZCDRGUTZLAGO-UHFFFAOYSA-N

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1 - 2-Ethoxy Benzoic Acid Ethyl Ester
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2-Ethoxy Benzoic Acid Ethyl Ester