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
   -4.1996    0.6759    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122   -0.3584    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.2437   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    0.9709   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258    1.0657   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7763   -0.0889   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -1.3065   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2231   -1.4097   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -0.0089   -0.6838 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    0.0045    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132   -0.0565    1.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826    0.0876    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8765    1.7122    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    0.5740    0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8782   -1.3404    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778    1.8983   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    2.0390   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6909   -2.2302   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328   -2.3651   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7873    1.1576    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959   -0.5901    1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -0.1872   -0.6932 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