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
   -5.2099    0.1830    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3270   -0.5770    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328   -0.1599    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806    0.9038    0.5834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464   -0.9326   -0.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -0.5371   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.9385    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -0.5654    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    0.2422   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    0.6277   -1.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291    0.2596   -1.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    0.6530   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    1.3746   -1.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597    0.2103    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9358    1.1035    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2505   -0.0911    0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6472   -1.4877   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015   -1.5727    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628   -0.8674    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5499    1.2519   -2.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    0.5793   -2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    0.6237    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569   -0.8858    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.6025    0.2929 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