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
   -4.1752   -0.6388   -0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    0.4024   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807    0.2898   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    1.4446    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440    1.3783    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361    0.1451    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271   -0.9898    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3808   -0.9402    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.0034    0.8066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9797   -0.0701   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -0.0074   -1.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4478   -0.2220   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2384   -0.5248   -0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447   -1.6482   -0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8367    1.3910   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732    2.3974    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751    2.2477    0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516   -1.9494    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -1.8891   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   -0.6397   -0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    0.7448    0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835   -0.9250    0.7702 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