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
   -5.1637    0.3437   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3198    0.2941    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950    0.0742   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905   -0.0663   -1.2971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797    0.0158    0.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -0.1985    0.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.9247    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4673    0.8325    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745   -0.4140   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2703   -1.5151    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -1.4215    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795   -0.5596   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494   -1.7217   -0.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    0.6085   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2188    0.5059   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8116    0.2213   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6570    0.4139    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3146    1.9311    0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    1.7150   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -2.5219    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658   -2.3008    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040    1.4760    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    0.9816   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4096    0.3810   -0.4723 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