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
   -3.9170   -1.6944    0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3142   -0.5703    0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8842   -0.4122    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    0.8336    0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178    1.0272    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    0.0605    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575   -1.1514    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -1.3842    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198    0.3872    0.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373    0.9315   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    1.1127   -1.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    1.3068   -1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741   -2.5529    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0138   -1.7890    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9419    0.2380    1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385    1.6313    1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901    2.0013    1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0279   -1.9204   -0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -2.3452   -0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120    1.3176   -2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    0.6254   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    2.3469   -0.6622 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