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
    6.9609   -0.5488    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312    0.5110    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0100    0.5864   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890    1.5965   -0.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1641   -0.4549    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991   -0.4385   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    0.0657    0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    0.1021    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -0.3420   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332   -0.8508   -1.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050   -0.8905   -1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -0.2859   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341   -0.6811   -1.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783    0.2300    0.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5482    0.3391    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521   -0.6694    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7463   -0.5747    0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3154    0.5889    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5267    1.6180   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1325    1.4840   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3205   -1.3911    0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077   -0.6419    0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578    1.3403   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    0.4380    1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247    0.5030    1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -1.2035   -2.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523   -1.2860   -2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9607   -1.5971    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3859   -1.3684    1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4006    0.6538    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0211    2.4991   -0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5555    2.3269   -0.4706 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