Chem Trans 23 Dimethoxycinnamicacid Dsrpl

Compound 289
  CheckMol                        TMF02:r0:m0
MF=C11H12O4 MW=208.21
 15 15  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   -1.4943   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282   -2.2414   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -2.2414   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735   -1.4824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661   -2.2296   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1588   -1.4706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8543   -3.7238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1470    0.0474   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515   -2.2177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1470   -4.4710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4396    0.8064   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7441   -1.4587   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396   -3.7120   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7323    0.0593   -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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14 02  0  1  0  0
 13 15  1  0  0  0  0
 11 14 01  0  1  0  0
M  END

Trans-2,3-DimethoxyCinnamicAcid

₹ 0.00 0.00

Chemical Name - Trans-2,3-DimethoxyCinnamicAcid
Mol Weight - 208.212
Smiles - COc1cccc(/C=C/C(O)=O)c1OC

Property Name	Property Value
Mol Name	Trans-2,3-DimethoxyCinnamicAcid
Molweight	208.212
Monoisotopic Mass	208.07356
Clogp	1.3339
Clogs	-2.035
H Acceptors	4
H Donors	1
Total Surface Area	168.38
Relative Psa	0.27402
Polar Surface Area	55.76
Druglikeness	0.27506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.48329
Molecular Complexity	0.66755
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Acidic Oxygens	1
Smiles	COc1cccc(/C=C/C(O)=O)c1OC
InChIKey	InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)
InChI	QAXPUWGAGVERSJ-UHFFFAOYSA-N

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Trans-2,3-DimethoxyCinnamicAcid