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
    7.0920    0.1089   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    1.1313    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945    1.0872    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1835    2.0619    0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922   -0.0695   -0.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -0.0866   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558    0.3002   -1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    0.3035   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0277   -0.0668   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876   -0.4490    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751   -0.4698    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -0.0461   -0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170    0.3026   -1.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -0.4212    0.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5573   -0.3996    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056   -1.5397    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5865   -1.5875   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3105   -0.4678    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6576    0.6724    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2844    0.7229    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6423   -0.8216   -0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1628    0.1738   -0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8308    2.0451    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    0.6036   -2.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2654    0.6062   -2.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746   -0.7392    1.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886   -0.7674    1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720   -2.4351   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1145   -2.4621   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3802   -0.4773    0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2445    1.5439    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444    1.6430    1.1407 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