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
    4.1590   -0.9813    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805    0.0773    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    0.0442   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3044   -1.0829    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661   -1.0698    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745    0.0573   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270    1.1983   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408    1.2019   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544    0.0526   -0.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0372    0.3255    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    0.5959    1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5165    0.3225    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -1.9489    0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372   -0.8988    0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    1.0107   -0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903   -1.9984    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627   -1.9703    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.1191   -0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548    2.0785   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8343    0.4841   -0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9718    1.0585    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9292   -0.6762    0.6785 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