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
   -4.1444    0.9353   -0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425   -0.0746   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853   -0.1092   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055    0.9286   -0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970    0.8394   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -0.2906   -0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290   -1.3275    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -1.2563    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -0.3841   -0.3669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502    0.0061    0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215    0.4713    1.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239   -0.1219    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2283    0.9672   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578    1.8171   -1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931   -0.9479   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686    1.8252   -1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610    1.6727   -1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -2.2524    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239   -2.0935    0.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    0.7516    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8217   -0.3369    1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -1.0196    0.0922 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