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
    7.0333   -0.4905   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    0.6549    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900    0.7590    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    1.8566    0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.3192   -0.1674 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7980   -0.2441   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.4799    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -0.4008    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128   -0.0859   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588    0.1496   -1.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    0.0652   -1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297   -0.0159   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039    0.2751   -1.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071   -0.2495    0.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5835   -0.1500    0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3639   -1.2497    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7245   -1.1621    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3521    0.0395    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5925    1.1236    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2157    1.0587    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426   -1.3526   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982   -0.5728   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0730    1.5139    0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576   -0.7261    1.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5934    1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    0.3950   -2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013    0.2508   -2.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8269   -2.1880    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3149   -2.0160   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4051    0.1239    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0782    2.0932    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360    1.9377    1.1426 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