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
   -4.2322    0.2936    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3422   -0.2470   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434   -0.2786   -0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -0.8900   -1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.9349   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676   -0.4034    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847    0.1814    1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504    0.2487    0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -0.5124    0.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    0.4938   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    1.4694   -0.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    0.4089    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051    0.7468    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3014    0.3218   -0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -0.6814   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.3131   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -1.4079   -1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2961    0.6017    2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    0.7209    1.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    1.4108   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495    0.0602    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110   -0.2892   -0.5861 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