Chem Tert Butyl Hydroquinone

Compound 20
  CheckMol                        TMF02:r0:m0
MF=C10H14O2 MW=166.22
 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   -1.4956   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2820   -2.2434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3294   -2.2316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2701   -3.7391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5758   -1.4838   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413   -3.7272   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4750   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.8161   -0.1662   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696   -0.7241   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117   -2.7776   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -5.9706   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

tert-Butyl Hydroquinone

₹ 0.00 0.00

Chemical Name - tert-Butyl Hydroquinone
Mol Weight - 166.219
Smiles - CC(C)(C)c(cc(cc1)O)c1O

Property Name	Property Value
Mol Name	tert-Butyl Hydroquinone
Molweight	166.219
Monoisotopic Mass	166.09938
Clogp	2.5501
Clogs	-2.184
H Acceptors	2
H Donors	2
Total Surface Area	133.15
Relative Psa	0.19677
Polar Surface Area	40.46
Druglikeness	-5.276
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.44738
Molecular Complexity	0.6307
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	2
Smiles	CC(C)(C)c(cc(cc1)O)c1O
InChIKey	InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChI	BGNXCDMCOKJUMV-UHFFFAOYSA-N

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tert-Butyl Hydroquinone