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
    4.9129   -0.5270   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -1.5436   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.4421   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419   -2.4045   -0.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -0.2586   -0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -0.0120    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    0.4707   -1.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176    0.7035   -0.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794    0.4606    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765   -0.0197    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   -0.2504    1.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4264    0.7050    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0447    0.4949    1.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1578    1.2233   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    0.3915    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9893   -0.5403   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -2.4753   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734    0.6622   -1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797    1.0809   -1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164   -0.2042    2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -0.6294    2.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902    2.0715   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324    0.4491   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1690    1.5939   -0.4912 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