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
    5.2259    0.7857   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225   -0.0706   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259    0.0948   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302    1.0517    0.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319   -0.7801   -0.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -0.6089   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    0.1285   -0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129    0.2731   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626   -0.3217    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -1.0727    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -1.2065    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4288   -0.1909    1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243   -0.7452    2.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3740    0.6109    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9457    1.6370    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2717    0.7224   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6284   -0.8904   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    0.6109   -1.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072    0.8550   -1.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -1.5522    2.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987   -1.8013    1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586    0.3249   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    1.6907    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4266    0.4549    0.5681 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