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
   -5.2160   -0.5476   -0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288   -0.2126    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269   -0.2955   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -0.6818   -1.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008    0.0584    0.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423    0.0239    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0533   -1.1197    0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -1.1877    0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -0.0773    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    1.0751   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    1.1155    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502   -0.2016   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730   -1.2477    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3346    0.9550   -0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2595   -0.4830   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8916   -0.8808   -1.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631    0.1274    1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671   -1.9772    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -2.1148    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737    1.9251   -0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5388    1.9997   -0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624    0.6463   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    1.3918   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    1.7091    0.2973 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