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
   -4.0205   -1.1907    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350   -0.4885   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497   -0.1178   -0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112    0.6369   -1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040    0.9973   -1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    0.6145    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0526   -0.1284    1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -0.5027    0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892    0.9704    0.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9615    0.1008   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203   -0.9610   -0.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3893    0.4814   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0736   -1.4672    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6012   -1.5494    1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8209   -0.1379   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440    0.9462   -2.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.6041   -1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522   -0.4626    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -1.0826    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    1.5081   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0477   -0.1980   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880    0.4272    1.0385 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