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
    5.1271   -0.0816    1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411    0.3158    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.1917    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915   -0.2979    1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    0.5862   -0.7038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    0.4476   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601    1.4827    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    1.3415    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0745    0.1873   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -0.8325   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0317   -0.7195   -0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166    0.0663    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1728    1.0034    0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.1641   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1941    0.0101    1.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -0.4938    2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147    0.7378   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956    2.4086    0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    2.1631    0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731   -1.7308   -1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505   -1.5537   -1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2130   -1.1732    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6460   -2.0907   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4594   -1.1608   -1.4398 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