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
   -4.1526    0.4885    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535   -0.3779    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -0.1594    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971   -1.1099   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0358   -0.9243   -0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    0.1910   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    1.1387    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3377    0.9404    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0746    0.2941   -0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -0.1909    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -0.7599    1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5019   -0.0381   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462    1.3892    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2012    0.3061    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9148   -1.2768   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575   -1.9710   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -1.6750   -1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484    2.0173    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8328    1.7114    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -0.2148    0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953    1.0069   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769   -0.7856   -1.1887 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