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
    5.1465    0.5125    0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -0.2330    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    0.0204    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.9475    0.8264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.7239   -0.6281 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544   -0.4273   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -1.0281    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -0.7648    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658    0.1397   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2719    0.7736   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    0.4798   -1.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    0.4326   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859    1.2543   -1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3244   -0.2375    0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    0.3298    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8009    1.3201    1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7452   -1.0195   -0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -1.7554    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1518   -1.2464    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7158    1.4832   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907    0.9681   -2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136   -1.3353    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1203    0.1614    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -0.0999    0.4140 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