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
    4.2563   -0.2356   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3847    0.6979    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687    0.4307    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.8328    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -1.0895    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674   -0.0747    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315    1.2051    0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1117    1.4453    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.3214    0.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0306   -0.2430   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620    0.0569   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733   -0.4992   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -1.2784   -0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2972    0.0161   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536    1.7296    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -1.6856   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227   -2.0834    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465    1.9822    1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    2.4456    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7890    0.0848    0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6328   -1.5643    0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0029   -0.1860   -0.9802 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