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
    4.2086    0.5765    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   -0.3845   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -0.2524   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -1.2944   -0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1769   -1.1469   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.0119   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    1.0337   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829    0.9123   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756    0.2242   -0.5813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -0.0700    0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -0.5463    1.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4664    0.1547    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    1.5535    0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2949    0.3952    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663   -1.3162   -0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932   -2.2022   -1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100   -1.9705   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772    1.9528    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650    1.7506    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7495    1.1997    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9356   -0.0516   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9110   -0.5300    1.2513 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