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
   -4.8839   -0.0423   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3635   -0.3728    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968   -0.2731    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439   -0.5820    1.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0986    0.1526   -0.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175    0.2655   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    1.4410    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    1.5092    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578    0.4196   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141   -0.7129   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -0.8338   -0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133    0.4858   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    1.5141    0.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020   -0.7149   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9557   -0.1139   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    0.2912   -1.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9813   -0.7089    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    2.3058    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    2.4311    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984   -1.5785   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -1.7435   -1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694   -0.5128   -0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -1.5065    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973   -1.1200   -1.4763 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