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
    5.0178    0.1142    0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3139    0.4755   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681    0.3491   -0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    0.7030   -1.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -0.1498    0.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344   -0.2737    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267   -1.4222   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -1.4955   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580   -0.4586    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    0.6815    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    0.7815    0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114   -0.5372    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1019   -1.5655   -0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3173    0.6122    0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -0.2865    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    0.2300    0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103    0.8753   -1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705   -2.2243   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -2.4155   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254    1.4993    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745    1.7113    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057    1.0134    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3631    0.3197    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067    1.4625   -0.0556 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