Monomers

4-Acetoxystyrene

Identifiers

IUPAC name
(4-ethenylphenyl) acetate
InchI
InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3
InchI Key
JAMNSIXSLVPNLC-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)OC(=O)C
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)OC1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.2549
H Bond Acceptors
2
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.2607    0.3823    0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135   -0.4653   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -0.1919   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1442   -1.1407   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979   -0.9012   -0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941    0.2356   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254    1.1757    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    0.9527    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710    0.3491   -0.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189   -0.1184    0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4935   -0.6464    1.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078    0.0217    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    0.1525    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9541    1.3179    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810   -1.3860   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6043   -2.0469   -1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -1.6760   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    2.0805    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216    1.7235    0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0380   -0.6259    0.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7361    1.1033    0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637   -0.2960   -0.7682 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers