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
   -5.9031   -0.8834   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0219    0.2483   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5247    1.4386    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934    0.0065    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137   -1.1324   -0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645    1.0405    0.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3624    0.9448    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    0.5059   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    0.3967   -0.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888   -0.4147    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -1.1330    0.9242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982   -0.6089    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363   -1.5531    1.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -1.7800    1.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103   -1.0999    0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825   -0.1966   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    0.0782   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    1.0576   -1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    1.4566   -1.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    1.6865   -2.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6474   -0.5938   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4760   -1.2499    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3414   -1.7379   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8663    2.2668    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5846    1.6131   -0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042    0.2479    1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    1.9246    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -0.4685   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8907    1.3018   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -2.0891    1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -2.5121    2.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5729   -1.2907    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353    0.3395   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.1901   -2.8727 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