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
   -4.1989   -0.2556    0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4392   -0.5808   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0136   -0.2958   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292   -0.6693   -1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.4431   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    0.1857   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    0.5577    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    0.3290    0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132    0.4218   -0.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0519   -0.4921    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232   -1.5598    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5083   -0.1816    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256    0.2324    1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2566   -0.4731    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8658   -1.0764   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7507   -1.1698   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004   -0.7483   -2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590    1.0607    1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381    0.6479    1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0278   -0.6538    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046    0.9100    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8721   -0.5327   -0.9805 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