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
   -4.2627   -0.2584   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341    0.6318   -0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390    0.4114   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -0.7706    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -0.9441    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.1067    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2872    1.2998   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472    1.4579   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    0.0140    0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.4445   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524   -0.7867   -1.6515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.5044   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3057   -0.0661   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -1.2402   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6592    1.5988   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -1.5828    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -1.8576    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    2.1167   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4378    2.4028   -1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9878   -1.2556   -0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013    0.5003   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.8292    0.9120 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