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
    4.1617    0.9722   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4188    0.2142    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -0.0249    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193    0.5416   -0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0305    0.2927   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -0.5300   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204   -1.0826    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182   -0.8578    0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.7691   -0.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0573    0.0275    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840    0.9912    0.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4975   -0.1976   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8193    1.5001   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2166    1.0860   -0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898   -0.2722    1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    1.1787   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002    0.7697   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702   -1.7353    1.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905   -1.3216    1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7248   -1.2822   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0303    0.1708    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8912    0.3286   -1.0411 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