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
    4.8244    0.8670   -0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118   -0.3421   -0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -0.4833   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359   -1.6217   -0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    0.6066   -0.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613    0.3963   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349    0.2535    0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    0.0458    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -0.0276    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5674    0.1122   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.3199   -1.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -0.2472    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354   -0.3057   -0.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0472   -0.3978    1.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833    1.7187   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8807    1.0218   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9145   -1.2365   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    0.3029    1.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6169   -0.0660    2.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    0.0593   -2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2179    0.4345   -2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542    0.5925    2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3800   -1.0935    2.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1023   -0.7408    1.5733 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