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
    3.5980   -1.0881   -0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    0.0161   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.0883   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    1.2832    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147    1.3988    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    0.3052    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104   -0.8854   -0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.9859   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694    0.4074    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    1.4857    0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4543   -0.7451    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0592   -1.9976   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891   -1.0688   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    0.9136   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    2.1204    0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    2.3444    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2387   -1.7641   -0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437   -1.9503   -0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4512   -0.5959    0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.6986    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -0.9708   -0.6963 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