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
   -4.0091   -0.6449   -1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8089   -0.8314   -1.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -0.3641   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606    0.3035   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031    0.7415    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366    0.5126    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617   -0.1576   -1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3587   -0.6000   -1.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109    0.9242    0.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028    0.1171    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558   -1.0043    1.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568    0.6629    2.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -0.1361   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8578   -1.0107   -2.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858   -1.3603   -2.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200    0.5205    0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    1.2674    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.3410   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918   -1.1228   -2.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717    1.2383    1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5329    1.4102    2.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4886   -0.1251    2.5506 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