Chem 3 Hydroxy Propiophenone Clarion

Compound 7
  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
   -0.0118   -1.4915   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -2.2254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2784   -2.2254   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397   -1.4560   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3376   -3.7169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5687   -1.4678   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9537   -2.1899   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6516   -4.4508   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8590   -2.2017   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -3.6814   -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 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 11 01  0  1  0  0
M  END

3-Hydroxy Propiophenone

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Chemical Name - 3-Hydroxy Propiophenone
Mol Weight - 150.176
Smiles - OCCC(c1ccccc1)=O

Property Name	Property Value
Mol Name	3-Hydroxy Propiophenone
Molweight	150.176
Monoisotopic Mass	150.06808
Clogp	1.0585
Clogs	-2.063
H Acceptors	2
H Donors	1
Total Surface Area	124.88
Relative Psa	0.20932
Polar Surface Area	37.3
Druglikeness	-2.5933
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.51194
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	OCCC(c1ccccc1)=O
InChIKey	InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChI	PQCFUZMQHVIOSM-UHFFFAOYSA-N

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1 - 3-Hydroxy Propiophenone
2 - 3-Hydroxy Propiophenone

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3-Hydroxy Propiophenone