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
   -4.2310    0.7834   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642   -0.0297    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266    0.0724    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -0.8180    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -0.7621    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    0.1822    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644    1.0628   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    1.0110   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2040    0.2158    0.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -0.5151   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -1.1923   -1.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -0.5002   -0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3181    0.6879   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045    1.5639   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064   -0.8260    0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7578   -1.5754    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -1.4634    1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.8106   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570    1.7502   -1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510    0.2311    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672   -0.2071   -1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8891   -1.4819   -0.2573 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