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
   -3.8696   -1.7722    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076   -0.6267    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -0.2766    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438    0.9600   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270    1.3473    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962    0.5073    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2879   -0.7077    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -1.1035    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416    0.8903    0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968    0.5904   -0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635   -0.0075   -1.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498    0.9832   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214   -1.9874    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485   -2.5219    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849    0.0951   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906    1.6223   -0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121    2.3229   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -1.4123    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137   -2.0754    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380    0.3895   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231    0.7363    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662    2.0464   -0.5757 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