Chem Para Anisic Acid 4 Methoxy Benzoic Acid

Compound 52
  CheckMol                        TMF02:r0:m0
MF=C16H16O6 MW=304.30
 22 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156   -0.7348   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312    0.0356   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.2282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6431   -2.9631   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4683   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6549   -4.4565   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3630   -5.2032   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3749   -6.6965   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6905   -7.4314   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150    0.0948   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -0.6400   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    0.1304   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -2.1334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5719   -2.8683   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1795   -2.8801   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5601   -4.3616   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1676   -4.3735   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8520   -5.1083   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8401   -6.6017   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320   -7.3366   -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 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 17 19 02  0  1  0  0
 18 20 02  0  1  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8  9 01  0  1  0  0
 19 20 01  0  1  0  0
M  END

Para anisic acid (4-Methoxy benzoic acid)

₹ 0.00 0.00

Chemical Name - Para anisic acid (4-Methoxy benzoic acid)
Mol Weight - 152.149
Smiles - COc(cc1)ccc1C(O)=O.COc(cc1)ccc1C(O)=O

Property Name	Property Value
Mol Name	Para anisic acid (4-Methoxy benzoic acid)
Molweight	152.149
Monoisotopic Mass	152.047345
Clogp	1.0747
Clogs	-1.647
H Acceptors	3
H Donors	1
Total Surface Area	119.62
Relative Psa	0.30212
Polar Surface Area	46.53
Druglikeness	-1.597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.44327
Molecular Complexity	0.61821
Fragments	2
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
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	COc(cc1)ccc1C(O)=O.COc(cc1)ccc1C(O)=O
InChIKey

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1 - Para anisic acid (4-Methoxy benzoic acid)
2 - Para anisic acid (4-Methoxy benzoic acid)

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Para anisic acid (4-Methoxy benzoic acid)