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
    4.0326    1.3261   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    0.1736    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    0.0133   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387   -1.2471    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952   -1.4249   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -0.3835   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732    0.8630   -0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    1.0637   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1121   -0.4965   -0.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615   -0.3460    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4352   -0.1075    1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4314   -0.4457    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    2.2065   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    1.4640    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558   -0.6811    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -2.0587    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373   -2.4066   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.7038   -0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    2.0813   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8011   -0.4255   -0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8412   -1.3262    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8783    0.4542    0.8895 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