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
   -4.1238    1.0281    0.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4054    0.4804   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    0.1242    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093    0.3511    1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306   -0.0115    1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -0.5810    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051   -0.8122   -0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -0.4525   -1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0151   -0.9360    0.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -0.0575   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    1.1125   -0.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -0.4628   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789    1.2431    1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1586    1.2647    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    0.2640   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496    0.7937    2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    0.1673    2.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -1.2628   -1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.6363   -1.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702   -0.4338   -0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5089   -1.4476    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997    0.2649    0.6528 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