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
    4.8481   -0.4726    0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1728    0.6545    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    0.7013    0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    1.7916    0.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0362   -0.4834    0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6681   -0.3677    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.4776    1.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487   -0.3537    1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -0.1196   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821   -0.0104   -1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.1360   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4941    0.0114   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2621   -0.0935    0.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9628    0.2611   -1.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200   -1.3755    0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9130   -0.4790    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7251    1.5575    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722   -0.6632    2.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570   -0.4393    2.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378    0.1754   -2.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.0438   -1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0728    0.1257   -1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4772   -0.3962   -2.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6922    1.3330   -1.9377 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