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
   -4.2806   -0.4351    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005    0.3596   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    0.3324   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210    1.2108   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058    1.1866   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    0.3042    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -0.5689    1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.5609    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154    0.3391    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485   -0.3894    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387   -1.1526   -0.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5041   -0.3647    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3442   -0.3808   -0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606   -1.1960    0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7646    1.0893   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315    1.9165   -1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101    1.8820   -0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072   -1.2608    1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0935   -1.2776    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    0.4648    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046   -0.1664   -0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950   -1.3321    0.6447 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