Chem Para Methoxy Phenyl Acetic Acid Bcipl

Compound 53
  CheckMol                        TMF02:r0:m0
MF=C9H10O3 MW=166.18
 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   -1.4932   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -2.2398   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -2.2398   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5717   -1.4814   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5598    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8634   -2.2161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8516    0.8059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1552   -1.4458   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1433    0.0711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4351    0.8296   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7269    0.0830   -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  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

Para Methoxy Phenyl Acetic Acid

₹ 0.00 0.00

Chemical Name - Para Methoxy Phenyl Acetic Acid
Mol Weight - 166.175
Smiles - COc1ccc(CC(O)=O)cc1
InChI - NRPFNQUDKRYCNX-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Property Name	Property Value
Mol Name	Para Methoxy Phenyl Acetic Acid
Molweight	166.175
Monoisotopic Mass	166.062995
Clogp	1.0728
Clogs	-1.612
H Acceptors	3
H Donors	1
Total Surface Area	133.38
Relative Psa	0.27096
Polar Surface Area	46.53
Druglikeness	-1.4675
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.75
Molecular Flexibility	0.54641
Molecular Complexity	0.53648
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	COc1ccc(CC(O)=O)cc1
InChIKey	InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI	NRPFNQUDKRYCNX-UHFFFAOYSA-N

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Para Methoxy Phenyl Acetic Acid