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
   -1.3731    4.0164   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    3.2589    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727    1.9539    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539    1.1493    1.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152   -0.0883    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -0.5971    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975    0.1660   -1.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    1.4278   -0.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743   -1.8511   -0.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4859   -2.9956   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508   -2.8031   -0.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0148   -4.3444   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983    3.7251   -1.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    4.9864   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    3.6442    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.5086    2.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -0.7381    2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072   -0.2037   -2.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.9641   -1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -4.8116   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905   -5.0445    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222   -4.3232   -0.5496 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