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
    4.9638    0.2183   -0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.6070    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    0.5736    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2327    0.9462    1.6048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.1423   -0.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    0.1413   -0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    1.2535   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093    1.1791   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512    0.0582   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2742   -1.0108    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127   -1.0111    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225    0.0357    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1697    1.0530   -0.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2358   -1.1511    0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    0.2349   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086   -0.1214   -1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    0.9459    1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676    2.1268   -1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    2.0566   -0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7403   -1.8996    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039   -1.8721    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7110   -2.0663    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2267   -1.2207    1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2783   -1.2193    0.1059 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