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
    4.1584    0.9561   -0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -0.1242   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -0.0959   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    1.0472    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211    1.0277    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -0.1554    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326   -1.3042    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -1.2932   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644   -0.1406    0.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746    0.0009   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288    0.1165   -1.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4819    0.0079    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    1.9254   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2058    0.9205   -0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8944   -1.0704   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    1.9904    0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    1.9408    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545   -2.2516    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -2.2078   -0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9642   -0.9948    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0694    0.7864   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    0.2257    1.4832 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