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
   -4.2941   -0.2835   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957    0.6109   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.4192   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    1.4379    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2588    1.2701    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8073    0.0778   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585   -0.9152   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417   -0.7584   -0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737    0.0234   -0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -0.4146    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003   -0.7597    1.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   -0.4628    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0125   -1.2508   -0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3385   -0.0722   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    1.5790    0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721    2.3935    0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9192    2.0966    0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352   -1.8454   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478   -1.5995   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983    0.2832   -0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -0.3265    1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7581   -1.5029    0.0261 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