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
   -4.2473   -0.0700   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -0.6552    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9775   -0.2611    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    0.7380   -0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1057    1.0800   -0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7529    0.4191    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.5854    1.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -0.9142    1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    0.6890    0.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    0.0203   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5266   -0.8157   -1.1531 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809    0.2678   -0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092    0.7175   -1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2897   -0.3989   -0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6889   -1.4510    0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.2836   -1.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504    1.8563   -1.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836   -1.1428    1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768   -1.7075    1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    0.1767   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6914    1.2481    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015   -0.4946    0.3279 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