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
   -4.3269    0.1848   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2775    0.6443   -0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    0.2515   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.6349    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.9721    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943   -0.4040   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035    0.4896   -1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    0.8218   -1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -0.7244    0.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9489   -0.0499    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628    0.9247    1.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765   -0.4087    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3510    0.5048   -0.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664   -0.5264    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5016    1.3665   -1.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033   -1.0976    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239   -1.6805    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1939    0.9304   -1.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1526    1.5306   -2.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0306    0.1641    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -1.4686    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -0.1680    2.1252 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