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
    4.1279    0.5425    1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -0.1142    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.2164    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    0.3763    1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.2526    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8067   -0.4590    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -1.0472   -0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384   -0.9493   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887   -0.5936    0.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783    0.3280   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    1.2919   -1.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4580    0.2257   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746    1.0511    1.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2034    0.5915    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9747   -0.6133   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441    0.9445    1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245    0.7179    1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188   -1.6229   -1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -1.4261   -1.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7669    0.4879   -1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8914    1.0199    0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8065   -0.7878   -0.2086 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