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
   -3.9845    1.5007    0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4169    0.3459    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    0.1712   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5211   -1.0971   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -1.2950   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754   -0.2422   -0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    1.0201   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1457    1.2235   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -0.4153   -1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097   -0.6069   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650   -0.6180    0.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269   -0.7946   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0334    1.5395    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4437    2.4317    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0255   -0.5604    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -1.9599   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882   -2.2901   -0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8531    1.8756   -0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5183    2.2192   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0258   -0.0837    0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7946   -1.8214   -0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650   -0.5429   -1.6227 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