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
   -5.2122    0.4549    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3127   -0.3573   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934   -0.0865   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.9205    0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -0.8915   -0.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -0.5655   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    0.2697   -1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811    0.6183   -1.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.1570   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505   -0.6675    0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304   -1.0250    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    0.5167    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    1.2657   -0.7581 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2464    0.0262    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    1.3355    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2742    0.3073    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640   -1.2035   -0.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    0.6585   -2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    1.2637   -1.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.0155    1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3943   -1.6648    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0381   -1.0619    1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334    0.5782    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351    0.1670    1.0754 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