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
   -4.0738   -0.3479    1.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613    0.0083    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -0.1358    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4653    0.2667   -1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1121    0.1607   -1.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -0.3519   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.7540    0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -0.6450    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166   -0.4499   -0.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070    0.5585   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113    1.6307    0.1376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547    0.4354   -0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1397   -0.2367    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -0.7612    2.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832    0.4305   -0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.6719   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143    0.4827   -2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -1.1559    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675   -0.9757    1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.3179   -1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    0.3626    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130   -0.5120   -1.2157 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