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
    4.2490    0.0876   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624   -0.8682   -0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -0.6487   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.7347   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -1.5719   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494   -0.3139   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7678   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873    0.5840   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065   -0.0772   -0.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9372   -0.0247    0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3529   -0.2019    2.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3954    0.2425    0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    1.1465   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3245   -0.1420   -0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386   -1.8907   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5287   -2.7119   -0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.4495   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198    1.7922   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430    1.4521   -0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7959    0.7504    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349    0.8964   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9325   -0.7140    0.7489 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