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
   -3.6898    0.6629   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -0.1078    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135   -0.1484    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0074   -0.9919    1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -1.0641    1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -0.3428    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.4817   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009    0.5799   -0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398   -0.4028    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1986   -1.1665    1.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    0.3963   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666    1.2683   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657    0.6814   -0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6281   -0.7317    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -1.5818    1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -1.7271    1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904    1.0707   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308    1.2418   -1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696    1.4434   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339   -0.0340   -1.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    0.4725   -0.1645 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