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
   -3.3362    2.6606   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    1.4359   -0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545    0.7404   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -0.5771   -0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -1.2856   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.6932    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    0.6024    0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796    1.3030    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168   -1.3391    0.9441 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -1.2527    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913   -0.5919   -0.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9725   -1.9590    0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2452    3.1247   -0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559    3.2081    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7746    0.8955   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0850   -1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -2.3185   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    1.0725    1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9824    2.3052    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612   -1.6759    1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -3.0383    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198   -1.5321    0.0045 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