Compound 27
  CheckMol                        TMF02:r0:m0
MF=C8H8O3 MW=152.15
 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
   -0.0118    1.5120   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230    2.2681   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758    2.2681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6342    1.5238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634    1.5357   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2640    3.7801   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5516    0.0473   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    2.3035   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5516    4.5479   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8391    3.8155   -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
  6  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

Methyl Salicylate

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Chemical Name - Methyl Salicylate
Mol Weight - 152.149
Smiles - COC(c(cccc1)c1O)=O

Property Name	Property Value
Mol Name	Methyl Salicylate
Molweight	152.149
Monoisotopic Mass	152.047345
Clogp	1.2269
Clogs	-1.461
H Acceptors	3
H Donors	1
Total Surface Area	119.62
Relative Psa	0.30212
Polar Surface Area	46.53
Druglikeness	-3.8432
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.39443
Molecular Complexity	0.68024
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Smiles	COC(c(cccc1)c1O)=O
InChIKey	InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChI	OSWPMRLSEDHDFF-UHFFFAOYSA-N

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1 — Methyl Salicylate | 2 — Methyl Salicylate