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
    5.1677    0.2217   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3430   -0.4738   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296   -0.1702   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851    0.7504   -0.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900   -0.8581    0.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -0.5067    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.0788   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -0.7163   -0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.2498    0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.8383    1.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273    0.4426    1.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187    0.6717    0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    1.5364    1.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3723    0.0620   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066    1.0224   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2365    0.0519   -0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025   -1.2627    0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386   -1.8355   -0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2535   -1.1607   -1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700    1.5979    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967    0.8959    2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186    0.6734   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6920   -0.9561   -0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8839    0.0046   -1.4360 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