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
   -4.2437   -0.2120    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2687   -0.9958    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9313   -0.5718    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533   -1.4897   -0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289   -1.0626   -0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    0.2564   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308    1.1573   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384    0.7345    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306    0.5593   -0.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872    0.5098    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737    0.1760    1.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4244    0.8274    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1004    0.8441    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -0.5688    0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058   -2.0592    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -2.5353   -0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480   -1.8264   -0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    2.1747    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2558    1.4759    0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9911   -0.0850   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    1.5700   -0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594    1.1213    1.0626 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