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
    4.1225    0.2834    0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -0.4786    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -0.2198   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -1.0199   -0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -0.8074   -1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258    0.2029   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126    0.9808    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.7772    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695    0.4922   -0.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0536   -0.0850    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155   -0.9001    0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4865    0.1968   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230    1.1051    1.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1921    0.0385    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378   -1.2993   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8424   -1.8045   -1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -1.4304   -1.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    1.7810    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    1.4511    1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8580    0.1135   -1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0479   -0.5621    0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897    1.1848    0.3403 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