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
    4.2982   -0.5215   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4407    0.4800   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.2843   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -0.9530   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.0793   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902    0.0316   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001    1.2576   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.3891   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1762   -0.0282   -0.5519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0263   -0.1418    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.1966    1.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5084   -0.2067    0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121   -1.5619   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.3230   -0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8258    1.4871    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259   -1.8404   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -2.0398   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017    2.1480   -0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286    2.3812   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8840    0.0492   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8942    0.5819    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9085   -1.1979    0.6818 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