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
   -5.6689   -0.4125    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8895    0.1262   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5016    0.7386   -1.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4440   -0.0393   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810    0.4106   -1.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8019   -0.6741    0.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4091   -0.8493    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314    0.4747    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.4306    0.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -0.1205   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -0.6363   -1.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536   -0.2018   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390   -0.8480   -1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -0.9769   -1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6734   -0.4660   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1011    0.1568    0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    0.3128    0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066    0.9874    2.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0951    1.4014    2.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    1.2705    2.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087    0.1568    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8929   -1.4794    0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0261   -0.3717    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5716    0.8716   -1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8898    1.1207   -2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -1.4317    1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -1.4931   -0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    0.9731    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9991    1.1234   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.2514   -1.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798   -1.4720   -2.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7566   -0.5500   -0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7251    0.5683    1.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214    2.1503    2.8759 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