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
    5.7647   -0.7346   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    0.5031   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5487    1.6727   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    0.3763   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.4170   -0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -0.8351   -0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4424   -0.9622   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -0.3674   -1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.5421   -1.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    0.0415   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    0.7101    0.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.1869   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3783   -0.9930   -1.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124   -1.2756   -1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5321   -0.7456   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0164    0.0331    0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439    0.3371    0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1995    1.1727    1.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776    1.5633    2.2073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074    1.6356    2.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836   -1.6368    0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804   -0.6396    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481   -0.8598   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6206    1.8031   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554    2.5815   -0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -2.0339   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -0.5082    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -0.9288   -2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237    0.7033   -1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097   -1.3917   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1270   -1.8847   -2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6210   -0.9323   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7088    0.4408    1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0181    2.4673    3.3868 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