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
    3.7178    0.8275    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.1968    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -0.2391   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753   -1.4039   -0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900   -1.4869   -0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945   -0.4260   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681    0.7087    0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092    0.8219    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6502   -0.5264   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.5750   -0.7259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017    0.6058    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.7382    0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048    0.8507    0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5936   -1.0789   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5874   -2.2640   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8478   -2.4195   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    1.5758    0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    1.7329    0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2438    0.9118    1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5590    0.3460    0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3713    1.4973   -0.5792 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