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
    5.1330    0.6963   -0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376   -0.1801   -0.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    0.0074   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5143    0.9685    0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867   -0.8902   -0.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -0.6806   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -1.2392    0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406   -1.0383    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827   -0.2783    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767    0.2899   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    0.0832   -1.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645   -0.0497    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7952   -0.5502    1.9416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049    0.7687    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865    1.5348    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1552    0.5716   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896   -1.0313   -1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -1.8406    1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -1.4891    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442    0.9014   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0593    0.5185   -2.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6945    0.1399   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1331    1.0951    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112    1.6922   -0.3597 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