Compound 262
  CheckMol                        TMF02:r0:m0
MF=C9H10O2 MW=150.18
 11 11  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   -1.4936   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277   -2.2405   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -2.2405   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6435   -1.4818   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -3.7341   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5724   -1.4818   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9593   -2.2286   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -4.4809   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8645   -2.2286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8527   -3.7223   -0.0000 C   0 00  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 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

Ethyl Benzoate

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Chemical Name - Ethyl Benzoate
Mol Weight - 150.176
Smiles - CCOC(c1ccccc1)=O

Property Name	Property Value
Mol Name	Ethyl Benzoate
Molweight	150.176
Monoisotopic Mass	150.06808
Clogp	1.9789
Clogs	-2.057
H Acceptors	2
Total Surface Area	127.03
Relative Psa	0.18137
Polar Surface Area	26.3
Druglikeness	-5.4625
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.44787
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	CCOC(c1ccccc1)=O
InChIKey	InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI	MTZQAGJQAFMTAQ-UHFFFAOYSA-N

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1 — Ethyl Benzoate | 2 — Ethyl Benzoate