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
   -3.9711   -1.6136   -0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4158   -0.5934   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9849   -0.4133    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.2849   -0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073   -1.0632   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064    0.0461    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150    0.9269    0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    0.7135    0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859    0.2671    0.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494    0.9835   -0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1602    1.4067   -1.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982    1.2743   -0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -2.3780   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0598   -1.6953   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737    0.1593    0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3790   -2.1808   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -1.7600   -0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    1.7997    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1777    1.4153    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.4588   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    2.2520   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    1.2795    0.4594 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