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
   -3.8277   -1.9479   -0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762   -0.7270   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9934   -0.3904   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992    0.9424   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101    1.2764    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571    0.3310    0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772   -0.9904    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359   -1.3359    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9551    0.6774    0.8669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    0.8521   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    0.6934   -1.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113    1.2210    0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1956   -2.7872   -0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8487   -2.1161   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639    0.1051   -0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    1.6980   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0159    2.3265    0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -1.7607    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -2.3877    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3248    1.3423    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0720    0.4259    0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    2.2185    0.0260 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