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
    4.2192   -0.6281   -0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204    0.3982   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    0.2625    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    1.4115   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188    1.3305    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7415    0.1515    0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579   -0.9853    0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4132   -0.9207    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    0.1069    0.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746   -0.1508   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -0.3595   -1.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5175   -0.1903    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2877   -0.5118   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -1.6369    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    1.3568   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    2.3645   -0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    2.2187    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -1.9372    0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929   -1.8119    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0844   -0.5783   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7248   -0.7433    1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793    0.8532    0.3989 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