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
    5.2587    0.5911   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3402   -0.2182   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488   -0.0483   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    0.8949    0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317   -0.8689   -0.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -0.6591   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798   -1.2648    0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457   -1.0450    1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0858   -0.2396    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5585    0.3633   -0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239    0.1542   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4757   -0.0361    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -0.6150    1.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3852    0.8210    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0069    1.4206    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    0.4931   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -1.0176   -1.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -1.9090    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651   -1.5159    1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1864    1.0057   -1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070    0.6187   -1.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8693    0.1761   -0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1714    1.2035    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8885    1.6953   -0.4513 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