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
    3.9240   -0.1629   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    0.1233   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369    0.1036   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361   -0.2077    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -0.2068    1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    0.1003    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    0.4080   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991    0.4175   -1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954    0.0945    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060   -0.1989    2.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6678    0.4114    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219   -0.1369   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -0.4269    0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.3785   -2.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -0.4561    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447   -0.4658    2.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983    0.6551   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519    0.6652   -2.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101    0.2156   -0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    1.4806    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5321   -0.1981    0.4518 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