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
    4.2218   -0.1859   -0.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -0.9923   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058   -0.6677   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -1.5805    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432   -1.3081    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -0.1371   -0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374    0.7785   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975    0.4733   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1963    0.1350   -0.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8597    0.8241    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858    1.2112    1.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180    1.0995    0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380    0.7351   -1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857   -0.4373   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.9240    0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694   -2.4966    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972   -1.9850    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    1.6902   -1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0707    1.2139   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798    0.9809   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8390    0.4367    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363    2.1362    0.8899 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