Chem 3 Hydroxy Phenyl Acetic Acid Bcipl

Compound 43
  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   -1.4908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252   -2.2362   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -2.2362   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675   -1.4790   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5557    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8572   -2.2125   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8453    0.8046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1468   -1.4553   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8335    2.3190   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0592   -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 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 11 01  0  1  0  0
M  END

3-Hydroxy Phenyl Acetic Acid

₹ 0.00 0.00

Chemical Name - 3-Hydroxy Phenyl Acetic Acid
Mol Weight - 152.149
Smiles - OC(Cc1cc(O)ccc1)=O
InChI - FVMDYYGIDFPZAX-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

Property Name	Property Value
Mol Name	3-Hydroxy Phenyl Acetic Acid
Molweight	152.149
Monoisotopic Mass	152.047345
Clogp	0.7971
Clogs	-1.298
H Acceptors	3
H Donors	2
Total Surface Area	117.47
Relative Psa	0.33404
Polar Surface Area	57.53
Druglikeness	-1.7208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.52381
Molecular Complexity	0.61821
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
Acidic Oxygens	1
Smiles	OC(Cc1cc(O)ccc1)=O
InChIKey	InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChI	FVMDYYGIDFPZAX-UHFFFAOYSA-N

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3-Hydroxy Phenyl Acetic Acid