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
    4.7564   -0.0728    1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2815   -0.8961    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -0.7931   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888   -1.5686   -1.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645    0.1680    0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259    0.2930   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3407    1.1136   -1.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    1.1890   -1.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358    0.4731   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159   -0.3478    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896   -0.4496    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3476    0.5622   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071    1.3085   -1.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.2075   -0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -0.1569    1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1501    0.6854    1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144   -1.6472   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    1.6777   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    1.8520   -2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369   -0.9249    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -1.0786    1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4148   -1.2336   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3493    0.2940   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558   -0.2398    0.7887 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