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
    5.1657    0.3516    0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4961    0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -0.0295    0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    1.1706    0.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -0.9534    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -0.5531   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -0.1766   -1.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265    0.2198   -1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    0.2460   -0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767   -0.1319    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590   -0.5313    0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4023    0.6610   -0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770    0.9971   -1.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464    0.6821    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9421    1.3935    1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1655    0.0125    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705   -1.5359    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -0.1876   -2.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555    0.5116   -2.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -0.1138    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -0.8302    1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8852    1.1095    1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7368   -0.3309    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2356    1.3122    0.0887 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