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
   -4.2252   -0.7089    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4445    0.3281    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0116    0.2082    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767   -1.0023   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048   -1.0539   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7630    0.0870   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762    1.2774   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743    1.3700   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291    0.0193   -0.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746    0.0036    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5987    0.0559    1.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337   -0.0685    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2711   -0.5519    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8338   -1.6962    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    1.3354    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151   -1.9454    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -2.0205   -0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227    2.1926   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794    2.3402   -0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537   -1.0584   -0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345    0.2189    1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    0.6692   -0.7167 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