Monomers

Phenyl 4-(acryloyloxy)benzoate

Identifiers

IUPAC name
phenyl 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C16H12O4/c1-2-15(17)19-14-10-8-12(9-11-14)16(18)20-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
SNLMOIAMOXTSGA-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C16H12O4
Heavy Atom Count
20
Molecular Weight
268.268
Exact Molecular Weight
268.0736
Valence Electrons
100
Radical Electrons
0
tPSA
52.6
MolLogP
2.9972
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.2600   -0.3329   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2814   -1.1120    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021   -0.6393    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.5207   -0.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -1.4800    0.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854   -1.0407    0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.3794    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    0.0457    1.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -0.1874    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5652   -0.8500   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735   -1.2871   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.2671    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905    0.8716    1.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995    0.0483   -0.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    0.4760   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.3795   -0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8572   -0.0146   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2210    1.2235   -1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2199    2.0986   -1.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8934    1.7115   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831   -0.6709   -0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    0.6516   -0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162   -2.0943    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5812   -0.1932    2.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370    0.5647    2.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165   -1.0273   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441   -1.8086   -1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2572   -1.3442   -0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552   -0.6672   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2399    1.5572   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205    3.0727   -1.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494    2.3993   -1.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 11  6  1  0
 20 15  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  7 24  1  0
  8 25  1  0
 10 26  1  0
 11 27  1  0
 16 28  1  0
 17 29  1  0
 18 30  1  0
 19 31  1  0
 20 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers