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
   -5.2196    0.4018    0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.3145    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398    0.0161    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5081    0.9759    0.9262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792   -0.7202   -0.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267   -0.4193   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610   -1.0021    0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -0.7247    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.1477   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.7334   -1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    0.4444   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    0.4874   -0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0378    1.2650   -1.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -0.1407    0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2632    0.1718    0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8879    1.2279    1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7248   -1.1407   -0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280   -1.6906    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509   -1.1631    1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    1.4295   -1.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    0.9049   -2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170   -0.0509    1.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602   -1.2141    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3385    0.3749    0.8867 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