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
   -4.2718   -0.2322   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    0.6002    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668    0.3047    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308   -0.8686   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -1.0844    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964   -0.1247    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738    1.0458    1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842    1.2276    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -0.4135    0.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843   -0.0757   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    0.5105   -1.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4324   -0.3507   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0434   -1.2003   -0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3323    0.0162   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515    1.5527    0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651   -1.6289   -0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -2.0224   -0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568    1.7732    1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    2.1599    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6797   -1.4008   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083    0.3197   -1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9146   -0.1083    0.4974 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