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
    4.2491   -0.1047   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    0.1944    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155    0.2403    0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.0166   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.0532   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    0.3745    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737    0.6282    1.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    0.5630    1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521    0.4051    0.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0429   -0.6134    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5993   -1.7264    0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4672   -0.3351   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600   -0.3393   -1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490   -0.1405   -0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    0.4098    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760   -0.2716   -1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4609   -0.1623   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739    0.8815    2.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.7713    2.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8421   -0.9762   -0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1329   -0.5547    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176    0.7197   -0.3249 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