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
    6.2208    0.4136   -0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -0.3635    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866   -1.3353    0.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289    0.0043   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    0.9518   -0.9803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6299   -0.6661    0.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943   -0.3165   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3157   -1.2178    0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861   -0.8548    0.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443    0.3126    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224    1.1792    1.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0009    0.6918    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840    1.9997    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6107    2.5284    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4962    1.7251   -0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1491    0.4534   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -0.0910   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798   -1.4267   -0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5053   -2.0906   -1.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4268   -2.1296   -0.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    1.1223    0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640   -0.2416   -0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8572    1.0299   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3997   -1.5987    1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -1.9082    1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618    0.7192    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142   -0.4393   -1.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.2803    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -1.1254    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956    2.6321    1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8932    3.5252    0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4796    2.1360   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8290   -0.1841   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3740   -3.1552   -0.7049 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