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
    4.9557   -0.0519   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3181   -1.0173    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -1.0098    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226   -1.9127    0.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598    0.0223   -0.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    0.1436   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -0.3606   -1.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -0.2069   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939    0.4706    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420    0.9829    1.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2432    0.8231    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399    0.6446    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967    1.2715    1.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3914    0.1130   -0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302   -0.0917   -0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069    0.7869   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -1.8277    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.8944   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1168   -0.6043   -1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    1.5106    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296    1.2546    1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4092   -0.0031   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4290    0.8241   -1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0732   -0.8676   -1.2355 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