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
    3.3950    0.6366    1.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    0.2903    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026    0.1683    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -0.2083   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -0.3305   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -0.0878   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8279    0.2799    1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    0.4047    1.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6256   -0.2211   -0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5016    0.0027    0.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0531   -0.6242   -1.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    0.7101    1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488    0.8493    2.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    0.0821   -0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -0.3906   -1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -0.6256   -2.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5161    0.4893    1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8302    0.6988    2.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1151   -0.3760   -1.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -0.0523   -2.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8365   -1.6958   -2.0823 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