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
    4.3062   -0.2727   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    0.4728    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    0.4131    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    1.2537    0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    1.2068    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    0.3484   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -0.4794   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4553   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551    0.2761   -0.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432   -0.5486   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812   -1.2873    0.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4943   -0.6291   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619   -0.1455    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0624   -0.9988   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191    1.2020    1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    1.9419    1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    1.8653    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777   -1.1878   -1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -1.1081   -1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8635   -1.6847   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0155    0.0314    0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6885   -0.2142   -1.4014 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