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
   -4.1994    0.5757   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116   -0.4410   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -0.3666   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    0.8040   -0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    0.8432   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -0.2678   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983   -1.4439   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -1.4950   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709   -0.1147   -0.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9831    0.2545    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    0.4475    1.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4576    0.4162    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    1.5822   -0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2955    0.4185   -0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8491   -1.3912    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392    1.7246   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4937    1.7881   -1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203   -2.3077   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6846   -2.4090    0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    1.4548    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9748   -0.3436    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982    0.2713   -0.8391 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