Monomers

1-(4-Vinylphenyl)ethanone

Identifiers

IUPAC name
1-(4-ethenylphenyl)ethanone
InchI
InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3
InchI Key
HDXVSRDSYNPSAE-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
17.07
MolLogP
2.5322
H Bond Acceptors
1
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

 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.7916    0.5072    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -0.4917    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.4158    0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    0.7264   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4546    0.7784   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -0.3352    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -1.4927    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -1.5049    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499   -0.2572   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3658   -1.2562    0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3226    0.9420   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8725    0.4066    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    1.4586   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3782   -1.4085    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    1.6078   -0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    1.6887   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -2.3675    0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976   -2.4136    1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    1.7133    0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3161    0.6816   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7666    1.4325   -1.5445 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  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers