Chem 2 Methyl 3 Nitro Phenyl Acetic Acid 2hritik

Compound 18
  CheckMol                        TMF02:r0:m0
MF=C9H9NO4 MW=195.17
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096   -0.7433   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -2.2299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6311   -2.9614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6429   -4.4481   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9407   -2.2063   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472   -4.4481   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3568   -5.1914   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9525   -5.1914   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2622   -4.4363   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -2.9261   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5718   -5.1796   -0.0000 O   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
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2-Methyl-3-Nitro Phenyl Acetic Acid

₹ 0.00 0.00

Chemical Name - 2-Methyl-3-Nitro Phenyl Acetic Acid
Mol Weight - 195.173
Smiles - Cc(c(CC(O)=O)ccc1)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	2-Methyl-3-Nitro Phenyl Acetic Acid
Molweight	195.173
Monoisotopic Mass	195.053159
Clogp	0.5651
Clogs	-2.398
H Acceptors	5
H Donors	1
Total Surface Area	147.05
Relative Psa	0.38463
Polar Surface Area	83.12
Druglikeness	-6.73
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.54539
Molecular Complexity	0.67785
Fragments	1
Non H Atoms	14
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Acidic Oxygens	2
Smiles	Cc(c(CC(O)=O)ccc1)c1[N+]([O-])=O
InChIKey	InChI=1S/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI	LWIOFILTAJJDLA-UHFFFAOYSA-N

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2-Methyl-3-Nitro Phenyl Acetic Acid