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
    4.1838    0.6791    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -0.3178   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -0.1767   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -1.2918   -0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -1.1683   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927   -0.0100   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523    1.0819    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    1.0045    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    0.0979   -0.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178   -0.1565    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.5006    1.7326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4690    0.0093    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    0.5215    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    1.6732    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -1.2829   -0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -2.2289   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979   -2.0452   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    2.0237    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8834    1.8860    0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080   -0.3115    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6678   -0.5787   -0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041    1.0917    0.0729 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