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
   -4.2330   -0.1771   -0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384    0.0147    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162    0.1664    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    0.1145   -1.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373    0.2698   -1.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560    0.4682   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741    0.5212    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1882    0.3711    1.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413    0.6231   -0.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284   -0.4323   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356   -1.5837    0.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898   -0.3022   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477   -0.2274   -1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3235   -0.2928   -0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    0.0683    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -0.0367   -1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201    0.2289   -2.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394    0.6755    2.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798    0.4067    2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9488   -1.2689   -0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -0.0308    0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7900    0.4236   -0.9026 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