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
    4.2702    0.4415    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087   -0.3635   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9663   -0.1721   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706    0.9132    0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097    1.0379    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.1269   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2339   -0.9569   -0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -1.0869   -0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845    0.3315   -0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783   -0.1780    0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476   -0.8332    1.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436    0.0823    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112    1.3221    0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246    0.1842    0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808   -1.2623   -0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    1.6793    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    1.9253    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344   -1.7075   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -1.9296   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8081   -0.4149   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6585    1.1784    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8859   -0.3177    1.5602 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