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
   -4.2687   -0.3609    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4012   -0.2903   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    0.0003   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152    0.2265    1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    0.4961    1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    0.5423    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970    0.3158   -1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    0.0527   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109    0.8099    0.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -0.2265    0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748   -1.4043    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -0.0221    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   -0.5812    0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9434   -0.2017    1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   -0.4560   -1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    0.1932    2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    0.6666    2.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068    0.3433   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681   -0.1236   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282    0.9752    1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9287   -0.8427    1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163   -0.1126   -0.4389 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