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
    5.6225   -1.9315   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   -0.6964   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862    0.3177   -1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -0.6070   -0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238   -1.5984   -0.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548    0.5235   -0.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.6679   -0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    0.5126    0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    0.6557    0.7146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111   -0.1741    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -1.1226   -0.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569   -0.1403    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5349   -1.1456   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8995   -1.2118   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6392   -0.2780    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9696    0.6877    0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747    0.7837    0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991    1.8519    1.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    2.0738    1.7769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8652    2.7493    2.3076 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6296   -1.6551   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570   -2.5557    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -2.5753   -1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904    1.2249   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    0.2667   -1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.7297   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    0.0312   -1.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865    1.2964    1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473   -0.5048    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9721   -1.8756   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3748   -2.0091   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7200   -0.3466    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5411    1.4096    1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912    3.6455    2.6477 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