Compound 150
  CheckMol                        TMF02:r0:m0
MF=C10H10O2 MW=162.19
 12 12  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   -1.4977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.2465   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.2465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -1.4858   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.2346   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1706   -1.4620   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8631   -3.7323   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4662   -2.2109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1587   -4.4693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4543   -3.7085   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7499   -4.4574   -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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 11 12  1  0  0  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

(E)-3-p-tolylacrylicacid

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Chemical Name - (E)-3-p-tolylacrylicacid
Mol Weight - 162.187
Smiles - Cc1ccc(/C=C/C(O)=O)cc1

Property Name	Property Value
Mol Name	(E)-3-p-tolylacrylicacid
Molweight	162.187
Monoisotopic Mass	162.06808
Clogp	1.8178
Clogs	-2.343
H Acceptors	2
H Donors	1
Total Surface Area	136.12
Relative Psa	0.19204
Polar Surface Area	37.3
Druglikeness	0.13171
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.44704
Molecular Complexity	0.50742
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	Cc1ccc(/C=C/C(O)=O)cc1
InChIKey	InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)
InChI	RURHILYUWQEGOS-UHFFFAOYSA-N

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1 — (E)-3-p-tolylacrylicacid | 2 — (E)-3-p-tolylacrylicacid