Chem 2 Amino 45 Dimethoxy Benzoic Acid Clarion

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C9H11NO4 MW=197.19
 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
   -0.0119   -1.4975   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2344   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2344   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.4619   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2717   -3.7320   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5672    0.0594   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746   -2.1988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5672   -4.4689   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8627   -3.6963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5553   -5.9664   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582   -4.4332   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -6.7033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   -3.6607   -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
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

2-Amino-4,5-Dimethoxy Benzoic Acid

₹ 0.00 0.00

Chemical Name - 2-Amino-4,5-Dimethoxy Benzoic Acid
Mol Weight - 197.189
Smiles - COc(c(OC)c1)cc(C(O)=O)c1N

Property Name	Property Value
Mol Name	2-Amino-4,5-Dimethoxy Benzoic Acid
Molweight	197.189
Monoisotopic Mass	197.068809
Clogp	0.3274
Clogs	-1.741
H Acceptors	5
H Donors	2
Total Surface Area	150.4
Relative Psa	0.40831
Polar Surface Area	81.78
Druglikeness	-1.3176
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.44327
Molecular Complexity	0.70389
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	5
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	COc(c(OC)c1)cc(C(O)=O)c1N
InChIKey	InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)
InChI	HJVAVGOPTDJYOJ-UHFFFAOYSA-N

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1 - 2-Amino-4,5-Dimethoxy Benzoic Acid
2 - 2-Amino-4,5-Dimethoxy Benzoic Acid

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2-Amino-4,5-Dimethoxy Benzoic Acid