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
    7.0980   -0.1663   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    0.9327   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    0.9190   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2606    1.9883   -0.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075   -0.2732   -0.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.2601   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -0.2103    0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -0.1977    0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437   -0.2359   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7598   -0.2858   -1.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -0.2977   -1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053   -0.2243   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115   -0.2584   -1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2134   -0.1746    0.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.1632    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2245    1.0766    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6041    1.1106    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3632   -0.0314    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6988   -1.2429    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351   -1.3215    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   -1.1156   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622   -0.1100   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8812    1.8869   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.1818    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -0.1586    1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   -0.3168   -2.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -0.3361   -2.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6957    2.0068    0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1367    2.0665    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4450    0.0013    0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2660   -2.1613    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8474   -2.2651    0.6906 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