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
    3.1816    1.6120    2.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.3057    1.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184    0.6124    0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088    0.3214   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113   -0.3235   -1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424   -0.7298   -0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158   -0.4344    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    0.2260    1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5585   -1.3950   -0.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6804   -0.7010   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051    0.5699   -1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8816   -1.3797   -1.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811    2.1326    2.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    1.3637    3.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7847    1.5852    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    0.6009   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -0.5809   -2.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.7233    1.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222    0.4211    2.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2082   -2.2371   -1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7098   -0.6235   -1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045   -1.6227   -2.8923 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