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
   -4.2505    0.0572   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771   -0.3074    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.3274    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175   -0.7445    1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339   -0.7854    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747   -0.4291   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0268   -0.0264   -1.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057    0.0249   -1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777   -0.5087   -0.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    0.5846   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3613    1.6180    0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4389    0.6014   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3198    0.0667   -0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819    0.3626   -1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422   -0.6010    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462   -1.0310    2.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -1.1089    1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991    0.2501   -2.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0602    0.3480   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -0.3583    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    1.3234    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8105    0.9911   -1.0745 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