Chem 236 Trimethyl Phenol Pacific

Compound 98
  CheckMol                        TMF02:r0:m0
MF=C9H12O MW=136.19
 10 10  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   -1.4941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2806   -2.2411   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3280   -2.2292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2688   -3.7351   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5731   -1.4822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399   -3.7233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6442   -1.4585   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5612   -4.4822   -0.0000 C   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
  4  8  1  0  0  0  0
  5  9 02  0  1  0  0
  5 10  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2,3,6 Trimethyl Phenol

₹ 0.00 0.00

Chemical Name - 2,3,6 Trimethyl Phenol
Mol Weight - 136.193
Smiles - Cc1ccc(C)c(O)c1C

Property Name	Property Value
Mol Name	2,3,6 Trimethyl Phenol
Molweight	136.193
Monoisotopic Mass	136.088815
Clogp	2.3456
Clogs	-2.352
H Acceptors	1
H Donors	1
Total Surface Area	116.39
Relative Psa	0.11255
Polar Surface Area	20.23
Druglikeness	-2.315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.6868
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Smiles	Cc1ccc(C)c(O)c1C
InChIKey	InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChI	QQOMQLYQAXGHSU-UHFFFAOYSA-N

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2,3,6 Trimethyl Phenol