Chem 3 Methoxy Phenyl Boronic Acid AlkaliMetal

Compound 220
  CheckMol                        TMF02:r0:m0
MF=C7H9BO3 MW=151.96
 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
   -1.3083   -0.7308   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2848   -0.7308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3201   -2.2159   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9250   -0.6954   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6285   -2.9467   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9368   -2.1806   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2333    0.0707   -0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2451    1.5794   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5417   -0.6601   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

3-Methoxy Phenyl Boronic Acid

₹ 0.00 0.00

Chemical Name - 3-Methoxy Phenyl Boronic Acid
Mol Weight - 151.956
Smiles - COc1cc(B(O)O)ccc1

Property Name	Property Value
Mol Name	3-Methoxy Phenyl Boronic Acid
Molweight	151.956
Monoisotopic Mass	152.064475
Clogp	1.313
Clogs	1.087
H Acceptors	3
H Donors	2
Total Surface Area	122.82
Relative Psa	0.29474
Polar Surface Area	49.69
Druglikeness	-13.035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.40195
Molecular Complexity	0.64378
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	1
Smiles	COc1cc(B(O)O)ccc1
InChIKey	InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI	NLLGFYPSWCMUIV-UHFFFAOYSA-N

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1 - 3-Methoxy Phenyl Boronic Acid
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3-Methoxy Phenyl Boronic Acid