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
    3.7287    0.5793   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0256   -0.4337    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705   -0.3785    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433    0.7247   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355    0.6948   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.3939    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259   -1.5087    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405   -1.4875    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831   -0.3217    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -1.3100    0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    0.9076   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232    0.5532   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3229    1.5203   -0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -1.3303    0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    1.6189   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735    1.5987   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -2.3622    0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478   -2.3503    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657    1.0296   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9048    1.7979    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4345    0.8519    0.0923 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