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
   -4.2807    0.2148   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206   -0.6172   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698   -0.4635   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372   -1.4256    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -1.3054    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.2225   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378    0.7337   -0.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    0.6121   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260   -0.0678   -0.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    0.5814    0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446    1.0714    1.6859 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4326    0.7262    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3373    0.0339   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9422    1.1052   -1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425   -1.5160    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309   -2.2732    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726   -2.0504    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823    1.6128   -1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.3855   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9562   -0.2305    0.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8076    1.2839    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7010    1.2895   -0.2876 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