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
   -4.2274    0.0267   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608    0.6830    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9596    0.3207    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302   -0.7648   -0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768   -1.1054   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7278   -0.3354    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819    0.7518    1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440    1.1027    1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760   -0.6278    0.6745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.0793   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893    0.6907   -1.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -0.3618   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2736    0.3744   -0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9597   -0.8452   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7192    1.5586    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.3844   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3344   -1.9622   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351    1.3332    1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346    1.9600    1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338   -0.2451   -0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841    0.3140    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -1.4043    0.3811 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