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
   -4.2463    0.5358    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4294   -0.4641   -0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -0.3060    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    0.8718    0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269    0.8866    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -0.2142    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1993   -1.4082    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626   -1.4172   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1389   -0.0988    0.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0144    0.2710   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    0.5230   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762    0.3818   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8818    1.4925    0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3071    0.3394   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064   -1.4593   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0018    1.7565    0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4151    1.8312    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -2.2933   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6087   -2.3703   -0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070   -0.3860   -0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6666    0.1417    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620    1.3862   -0.4193 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