Monomers

2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic Acid

Identifiers

IUPAC name
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
InchI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InchI Key
FIQBJLHOPOSODG-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O
Canonical SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H14O6
Heavy Atom Count
20
Molecular Weight
278.26
Exact Molecular Weight
278.079
Valence Electrons
106
Radical Electrons
0
tPSA
89.9
MolLogP
1.6609
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 34 34  0  0  0  0  0  0  0  0999 V2000
   -3.7120   -1.3118    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735   -0.6742    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0795   -1.1937   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421    0.4838   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7005    0.9750   -1.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    1.0479    0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5753    2.1801   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    2.5977    0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    1.6109    0.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046    1.0821   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    1.5796   -1.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    0.0677    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -0.3395    1.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960   -1.2844    2.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -1.8774    1.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0364   -1.4871   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -0.5199   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.2071   -2.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136    0.6048   -2.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0418   -0.8809   -2.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398   -1.3773    2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3696   -2.3653    1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503   -0.7440    1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6306   -2.0460   -0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4050   -0.7808   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    2.0356   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059    3.0465   -0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    3.5511    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181    2.8233    1.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    0.1035    2.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -1.5923    3.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674   -2.6414    1.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137   -1.9700   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487   -0.4965   -3.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 17 12  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  0
 16 33  1  0
 20 34  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers