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
   -4.2746    0.1275    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -0.3663   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016   -0.0779   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584   -0.6558   -1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -0.4568   -1.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    0.3454   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    0.9283    0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.7071    0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    0.5212   -0.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -0.2810    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743   -1.2444    1.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.0991    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    0.7616    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3239   -0.1229    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7883   -1.0108   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008   -1.2924   -2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.9437   -2.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707    1.5580    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516    1.1724    1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293    0.1703    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    0.6049   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318   -1.0959    0.0554 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