Chem 2 Acetyl 4 Methylpyridine AlkaliMetal

Compound 204
  CheckMol                        TMF02:r0:m0
MF=C8H9NO MW=135.17
 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
   -0.0118   -1.4904   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -2.2238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2775   -2.2238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6378   -1.4549   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3366   -3.7142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9508   -2.1883   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6496   -4.4476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9626   -3.6787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6615   -5.9380   -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
  3  5 02  0  1  0  0
  3  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
  8 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2-Acetyl-4-Methylpyridine

₹ 0.00 0.00

Chemical Name - 2-Acetyl-4-Methylpyridine
Mol Weight - 135.165
Smiles - CC(c1nccc(C)c1)=O

Property Name	Property Value
Mol Name	2-Acetyl-4-Methylpyridine
Molweight	135.165
Monoisotopic Mass	135.068414
Clogp	0.9278
Clogs	-1.873
H Acceptors	2
Total Surface Area	114.29
Relative Psa	0.21008
Polar Surface Area	29.96
Druglikeness	-1.6695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.3819
Molecular Complexity	0.6868
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	CC(c1nccc(C)c1)=O
InChIKey	InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
InChI	HRVQMQWVGKYDCF-UHFFFAOYSA-N

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1 - 2-Acetyl-4-Methylpyridine
2 - 2-Acetyl-4-Methylpyridine

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2-Acetyl-4-Methylpyridine