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
   -4.2119    0.6353   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4497   -0.3423   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191   -0.2313   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943   -1.3237    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -1.2269    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -0.0828    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373    1.0072   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434    0.9239   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    0.1144    0.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922   -0.0675   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806   -0.4626   -1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    0.1651   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8283    1.6183   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2795    0.4547   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9213   -1.3067   -0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -2.2583    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758   -2.0907    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770    1.9713   -0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560    1.7997   -0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.1962   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    0.0032    0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696   -0.4963   -0.7628 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