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
    5.0040    0.0682   -0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    1.0677   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    0.9379    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    1.8979    0.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1527   -0.2009   -0.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.2815   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.0991   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953    0.0270   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0186   -0.4334    0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1109   -0.8131    1.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.7430    1.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4599   -0.5134    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9268   -0.9331    1.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -0.0858   -0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045   -0.8559   -0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.1315   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8112    1.9808    0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    0.4628   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1922    0.3348   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232   -1.1778    2.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653   -1.0453    1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0609    0.8598   -0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5357   -0.9003   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3876    0.1159   -0.0703 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