Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.1024    1.2114   -0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3642    0.2469   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    0.3385   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    1.3417   -0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0821   -0.6344    0.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048   -0.4843    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0132    0.1468    1.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3775    0.3155    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022   -0.1619   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881   -0.7977   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204   -0.9555   -0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5408    0.0037   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760   -0.4300   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    0.6853    0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5963    2.0538   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885    1.1807   -0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434   -0.5899    0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599    0.5184    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.8078    1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -1.1600   -1.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -1.4506   -1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2910    0.9982    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7254    1.6263    1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3522    0.0625    1.8878 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
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers