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
   -3.9377    1.6908   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4253    0.4896   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229    0.1676   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230    1.1242    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.8289    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -0.4459    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -1.4078   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -1.1145   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279   -0.6912    0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -0.5628   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.2000   -1.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229   -0.8161   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    2.5538    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104    1.8557   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0775   -0.3189   -0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    2.1169    0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773    1.6226    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -2.4439   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408   -1.8738   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873   -0.4673   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -0.2392    0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767   -1.8687    0.0189 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