Chem 2 Methoxy Phenyl Acetic Acid Bcipl

Compound 55
  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
   -0.0118   -1.4890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236   -2.2335   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2335   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644   -1.4772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5526    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8525   -2.2217   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2408    0.7918   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    0.7918   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1406   -1.4654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2290    2.3044   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1288    0.0591   -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
  4  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  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
  8 11  1  0  0  0  0
  9 12 02  0  1  0  0
 10 12 01  0  1  0  0
M  END

2-Methoxy Phenyl Acetic Acid

₹ 0.00 0.00

Chemical Name - 2-Methoxy Phenyl Acetic Acid
Mol Weight - 166.175
Smiles - COc1c(CC(O)=O)cccc1
InChI - IVEWTCACRDEAOB-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Property Name	Property Value
Mol Name	2-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	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.54641
Molecular Complexity	0.62687
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
Acidic Oxygens	1
Smiles	COc1c(CC(O)=O)cccc1
InChIKey	InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI	IVEWTCACRDEAOB-UHFFFAOYSA-N

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1 - 2-Methoxy Phenyl Acetic Acid
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2-Methoxy Phenyl Acetic Acid