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
    4.9197   -0.0542    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254   -0.7834   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -0.7374   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -1.4105   -1.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330    0.0612    0.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7486    0.0719    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.9491   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384    0.8940   -0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -0.0081    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -0.8964    1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017   -0.8499    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4743   -0.0463    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0436   -0.8936    1.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2312    0.9168   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4201    0.5825    0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0026   -0.0428    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -1.4037   -1.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    1.6666   -1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    1.6058   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151   -1.6160    1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -1.5482    1.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2836    0.6153   -0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2752    1.9312    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7885    0.9962   -1.3900 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