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
    7.0590   -0.1046   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4087    0.5135    0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9614    0.4374    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612    1.0294    1.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936   -0.2544   -0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144   -0.2887   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773    0.6353   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    0.5588   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -0.4540    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -1.3979    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435   -1.2993    0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -0.5600    0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609   -1.4571    1.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075    0.3903   -0.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5970    0.3669   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398    1.0286    0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5940    0.9854    0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3485    0.2841    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6998   -0.3863   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3248   -0.3466   -1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1382   -0.0651   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -0.6624   -1.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    1.0756    1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    1.4296   -1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0529    1.2792   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163   -2.1915    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492   -2.0644    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    1.5760    1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1392    1.4836    1.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4145    0.2646    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3129   -0.9293   -1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8558   -0.8766   -1.8920 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