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
   -7.3525    0.3984   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3833   -0.3323    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9887   -0.1545   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6636    0.7297   -0.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0419   -0.9603    0.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816   -0.8455    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471    0.0180    1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    0.1186    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0336   -0.5855   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -1.4382   -0.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010   -1.5744   -0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -0.4474   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804   -1.1199   -1.4094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604    0.3870    0.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    0.5640    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933    1.5332   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677    1.7121   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3390    0.8921   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8560   -0.0735    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910   -0.2506    0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3749    0.2603   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0504    1.1598   -0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6597   -1.0981    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4107    0.6003    1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    0.7827    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2332   -1.9930   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672   -2.2378   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    2.1822   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8366    2.4755   -1.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039    1.0087   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5316   -0.7171    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736   -0.9945    1.4033 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