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
   -4.2730   -0.0531    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -0.3083   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.0395   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1017   -0.3358   -1.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508   -0.0915   -1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8044    0.4526   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607    0.7430    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4151    0.5025    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    0.6868   -0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280   -0.2937    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911   -1.3784    0.6723 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.0751    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3402   -0.2752    0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0072    0.3739    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7687   -0.7406   -1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218   -0.7648   -2.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9019   -0.3310   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.1688    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408    0.7538    1.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    0.9402    0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982   -0.0562   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9023   -0.8784    1.0440 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