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
   -5.2369   -0.0221   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2566   -0.6418    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8656   -0.3997    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550    0.4015   -0.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8185   -1.0390    0.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5242   -0.7612    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -1.4533   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396   -1.1122   -0.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.0778   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    0.6203    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334    0.2802    0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591    0.3115   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0845   -0.3040   -1.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244    1.4319   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9764    0.6667   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2742   -0.1506    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -1.3300    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -2.2604   -1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618   -1.6723   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4400    1.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    0.8442    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    2.3818   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2371    1.4033   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    1.4429    1.0775 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