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
    4.1763    0.8156   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478    0.5693    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    0.1695    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1302   -0.0847    1.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -0.4683    1.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -0.6052    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334   -0.3696   -1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    0.0159   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049   -1.0009   -0.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133   -0.0407   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    1.1609   -0.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4534   -0.3874   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    0.7336   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881    1.1121   -0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    0.6557    1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.0255    2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7976   -0.6532    2.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -0.4901   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    0.1978   -1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6064   -1.3804   -0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9523   -0.3954    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9340    0.4202   -0.8383 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