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
    4.7816   -0.7019    1.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3359   -0.8219   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423   -0.5442   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568   -0.6475   -1.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732   -0.1521    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    0.1218    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802   -0.9188    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -0.6700    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606    0.5949   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    1.6028   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    1.3794   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699    0.8419   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7754    1.9875   -0.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772   -0.2423   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1365   -0.3999    1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8092   -0.9067    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.1258   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -1.9240    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -1.4988    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004    2.5936   -0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    2.1565   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542   -0.9223    0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3431   -0.7936   -1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4019    0.1754   -0.2857 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