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
    7.1520    1.0756    0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.0976    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    0.1282    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    1.1186    0.8561 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1661   -0.8913   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7877   -0.7923   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768   -0.2079   -0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233   -0.1043   -0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073   -0.6009    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703   -1.1902    1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381   -1.2832    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4359   -0.5149    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9952   -0.9597    1.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018    0.0771   -0.5612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718    0.2165   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1115    1.3488    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4955    1.5379    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3456    0.5542   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8063   -0.5814   -0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4200   -0.7472   -1.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2245    1.0231    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7237    1.9439    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759   -0.7699   -0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834    0.1739   -1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    0.3515   -1.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604   -1.5703    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421   -1.7444    1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999    2.1398    0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9305    2.4247    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4133    0.7335   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4795   -1.3284   -1.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0287   -1.6584   -1.4631 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