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
   -4.2838   -0.1193   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243    0.3665    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059    0.1241    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -0.6592   -0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524   -0.8654   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7685   -0.2997    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    0.4877    1.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662    0.6953    1.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232   -0.5155    0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    0.2549   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525    1.2482   -1.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4737   -0.0958   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040   -0.7625   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3464    0.0827   -0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8249    1.0035    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0171   -1.1343   -1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -1.4877   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    0.9169    2.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    1.3027    2.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -0.5632   -1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908   -0.7805    0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    0.8007   -0.1464 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