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
   -4.1911   -0.7360   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    0.2258    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537    0.1338    0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    1.1756    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    1.1273    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -0.0273    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.0801   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -1.0160   -0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2119   -0.1657    0.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9006    0.2193   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    0.6753   -1.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    0.1097   -0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8808   -1.6821   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2746   -0.5744   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365    1.1635    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6436    2.0812    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    1.9491    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308   -2.0027   -0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664   -1.8803   -0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    0.0521   -1.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8940    1.0075   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7441   -0.7556   -0.3135 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