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
   -5.2124   -0.6268    0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3182    0.2351    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -0.0427    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -1.1695    0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0065    0.9251   -0.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    0.6407   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732    0.8812    0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272    0.6242    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    0.0919   -0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.1529   -1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0839    0.1074   -1.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129   -0.1958   -0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411   -0.6773   -1.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3390    0.0842    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512   -0.3642    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835   -1.6275    0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6546    1.2156   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544    1.3068    1.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336    0.8400    1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027   -0.5778   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057   -0.0956   -2.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -0.4971    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3811   -0.2516    0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    1.1449    1.0352 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