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
    5.1283    1.0174   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3617   -0.0352   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    0.1101   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    1.2666   -0.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0512   -0.9695   -0.2803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874   -0.7137   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851   -0.6042    0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -0.3468    0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882   -0.1920   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142   -0.3019   -1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -0.5565   -1.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5332    0.0801   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    0.2201   -1.6703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3232    0.1936    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    0.9007   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916    2.0269   -0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7952   -1.0109   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -0.7197    1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530   -0.2635    1.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -0.1812   -2.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383   -0.6410   -2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7847    0.7885    1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    0.7538    0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5371   -0.8216    1.0724 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