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
    4.7340   -0.7843    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    0.4290    0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    0.6470    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444    1.7691    0.3702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305   -0.4602    0.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117   -0.2853   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340   -0.1806    0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478   -0.0058    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332    0.0658   -0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476   -0.0447   -1.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808   -0.2204   -1.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.2501   -1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6629    0.3140   -2.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3472    0.3642   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580   -0.9814    1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -1.6234    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983    1.2985    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834   -0.2384    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    0.0766    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    0.0043   -2.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1695   -0.3094   -2.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5162   -0.6358    0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3223    0.7124   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914    1.0423    0.7790 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