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
   -5.1842    0.8988   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3378    0.1090    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8965    0.2561    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718    1.1837   -0.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840   -0.5447    0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184   -0.3027    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    0.5680    1.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.7958    1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.1728    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987   -0.6945   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516   -0.9355   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464    0.4214   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1493    1.2192    0.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2336   -0.2597   -1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2502    0.7787   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8330    1.6869   -0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7120   -0.6740    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528    1.0563    2.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    1.4792    1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151   -1.2061   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548   -1.6358   -1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081    0.0145   -1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    0.0652   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159   -1.3597   -1.0946 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