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
    4.1749    0.9041    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901    0.1809   -0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075   -0.0364   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -0.8269   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930   -1.0327   -0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079   -0.4939    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019    0.2767    1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469    0.5160    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471   -0.7297    0.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818    0.0501    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8143    1.0586   -0.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120   -0.2207    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170    1.0055   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897    1.3952    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7782   -0.2873   -1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906   -1.2366   -1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -1.6522   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3026    0.7232    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342    1.1203    1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0433    0.7648    0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9969   -0.7560   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6550   -0.7231    1.4314 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