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
    5.2412    0.0208    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837    0.7407   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982    0.3310   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -0.7224    0.5949 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523    1.0586   -0.5672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    0.5964   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.2562   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002   -0.7187   -1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733   -0.3452   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239    0.4975    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343    0.9610    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4451   -0.8216    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9601   -1.5850   -0.8301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2465   -0.3966    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890    0.2838    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364   -0.9125    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245    1.6449   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.5606   -2.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357   -1.3911   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1296    0.8017    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677    1.6258    1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360    0.6870    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6762   -0.5515    2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1605   -0.9878    1.2703 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