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
    4.1151   -0.6471   -1.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188   -1.3388   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944   -0.9585   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -1.7566   -0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -1.4461   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071   -0.3643    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924    0.4307    0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159    0.1188    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181   -0.0528    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338    0.7794    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937    1.2152   -0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    1.1408    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518   -0.9450   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    0.2263   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695   -2.2127   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902   -2.6267   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3577   -2.1051   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3899    1.3096    1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.7600    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5647    0.3186    1.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0782    2.0952    1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8632    1.2457    0.3239 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