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
    4.9533   -0.1794    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.5132   -0.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -0.3876   -0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2496   -0.6902   -1.9317 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316    0.0824    0.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520    0.1973    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634    1.3634   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983    1.5311   -0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    0.4648   -0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687   -0.7076    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -0.8302    0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505    0.5964   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9643    1.6786   -0.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3401   -0.5172    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779    0.1816    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351   -0.2677    0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8606   -0.8840   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    2.2006   -0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    2.4751   -0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -1.5697    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.7450    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -1.0542    1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241   -1.2863   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3562   -0.1388    0.3014 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