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
    5.5625   -0.5421   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2270    0.2704    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1434    0.9193    0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094    0.3284    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    1.0108    1.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -0.3263    0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -0.2871    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195   -1.1424   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -1.2183   -0.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122   -0.0983   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    0.9655   -0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.3049   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494   -1.6408    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6735   -1.9019    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5927   -0.8818    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1546    0.3920    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103    0.7149   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5100    2.0832   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025    2.5716   -0.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5566    3.0347   -0.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    0.0591   -1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8732   -1.4250   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6239   -0.8501   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    1.5082    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    0.8666    0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    0.7743    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686   -0.6572    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015   -2.1784   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -0.7977   -1.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -2.4305    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863   -2.9411    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6205   -1.0898    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8785    1.1691    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3542    4.0458   -0.4067 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