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
   -3.9607    1.4650    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3427    0.7569   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.2843   -0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    0.5429    0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    0.0760    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014   -0.6663    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -0.9485   -1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3611   -0.4802   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184   -1.1465    0.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105   -0.4307   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493    0.7086   -0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989   -0.9358    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5091    1.7384    1.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9894    1.8078    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8527    0.5096   -1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790    1.1342    1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734    0.2948    2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -1.5381   -1.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499   -0.6793   -2.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6301   -1.1592    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -0.2080   -0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147   -1.9137   -0.5176 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