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
   -4.1775   -0.3901   -0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    0.4961   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602    0.2340   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523   -0.9392   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0099   -1.1664   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -0.1776    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    1.0112    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086    1.2432    0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   -0.3447    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    0.0469   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    0.5492   -1.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752   -0.1155   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2366   -0.1540   -0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8591   -1.3457   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054    1.4395    0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -1.7305   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070   -2.1005   -0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641    1.7626    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821    2.1678    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748   -0.6404   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309    0.8882   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098   -0.7341    0.7232 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