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
   -5.2807    0.0514    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3399   -0.6789    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9747   -0.1505    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877    0.9413    0.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741   -0.8934   -0.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -0.5049   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.2320   -1.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    0.6016   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545    0.2549   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -0.4759    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2320   -0.8497    0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575    0.6541   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8907    1.3280   -1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    0.3071    0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0801    1.0055    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2969   -0.3089    0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5730   -1.6344   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    0.5310   -2.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    1.1821   -2.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2578   -0.7491    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1223   -1.4178    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4287    1.0117    1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -0.7331    0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4661    0.2958    0.1253 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