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
    5.2375    0.7021   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.3875    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563    0.2224    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    0.3940   -1.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394   -0.1038    1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -0.2525    0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    0.8375    0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    0.7106    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -0.4932    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2101   -1.5605    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -1.4566    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859   -0.6506   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9158   -1.7899   -0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4624    0.4450    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2767    0.8149   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9477    0.8619   -1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    0.2468    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    1.7902    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849    1.5832    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6453   -2.5126   -0.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036   -2.3249    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7052    0.8693   -0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1982    1.2656    0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208    0.0138    0.4451 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