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
   -4.2612   -0.7448    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601    0.0222    0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377   -0.1589    0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -1.1681   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -1.3053   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -0.4474    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    0.5481    1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550    0.7150    1.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2016   -0.6258    0.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642   -0.0520   -0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    0.6870   -1.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4253   -0.2778   -1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3376   -0.5878    0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326   -1.5827   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116    0.8398    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881   -1.8561   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351   -2.1210   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    1.2440    1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    1.5240    1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9524    0.4351   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563   -0.2383   -2.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -1.2949   -0.5956 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