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
    6.4414   -0.1750    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    0.0119    0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0496    0.1943    2.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902   -0.0093    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -0.1804   -1.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877    0.1657    0.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4373    0.1667   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    0.3909    1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    0.4208    0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856   -0.5544   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771   -1.6221   -0.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065   -0.6191   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -1.7911   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5639   -1.9563   -1.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4320   -0.8973   -1.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0515    0.2538   -1.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7766    0.4256   -0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383    1.7027    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815    2.0418    0.6137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5528    2.6924    0.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1410    0.5589    0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7702   -1.1983    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287    0.0687   -0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427    0.2092    2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    0.3296    2.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358    1.0197   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787   -0.7691   -0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714    1.3441    1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -0.4088    1.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6472   -2.6399   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8541   -2.8871   -2.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4195   -1.0280   -2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7669    1.0672   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2883    3.6721    0.2249 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