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
    5.2389    0.6974    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3346    0.4695    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    0.2337    0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    0.2324    1.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131   -0.0032   -0.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6845   -0.2385   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -1.4848   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164   -1.6266   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0866   -0.5324    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268    0.7072   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    0.8420   -0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5118   -0.7108    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809   -1.8582    0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3928    0.4566    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747    0.7138    2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795    0.8784    0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6445    0.4636   -1.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -2.3539   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -2.5917    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008    1.5735   -0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    1.8625   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3687    0.2186    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6243    0.7305   -0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9786    1.3205    0.8221 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