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
    4.9669    0.6853    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3028    1.0899   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584    0.8113   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624    1.2124   -1.7215 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    0.1268    0.2613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -0.1513    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -1.3062   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -1.5466   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.6587   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5163    0.4996    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    0.7203    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.9543   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -2.0189   -0.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -0.0479    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111    0.8865    0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4035    0.1428    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432    1.6307   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278   -2.0138   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3632   -2.4710   -1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2618    1.2031    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    1.6246    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3599   -0.6318    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6766    0.6682   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1502    0.4988    1.2635 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