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
    4.3094   -0.3396    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045    0.2805   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    0.2884   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629   -0.3474    0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -0.2988    1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860    0.3851    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2441    1.0198   -0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    0.9774   -1.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432    0.4097    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.5026    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588   -1.4416   -0.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5131   -0.4132    0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374   -0.3108   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -0.8843    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    0.8142   -1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1244   -0.8922    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.8009    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879    1.5673   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324    1.4837   -1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350   -1.3612    0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6042   -0.0208    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9396    0.3872   -0.1794 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