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
    3.8164   -0.2835    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0169   -0.5649   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5769   -0.3554   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -0.6897   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -0.4970   -1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355    0.0347   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4902    0.3664    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8923    0.1745    0.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    0.2358   -0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506   -0.0731   -1.4553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    0.8099    0.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271    0.1382    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8813   -0.4557    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   -0.9947   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -1.1074   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419   -0.7554   -2.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9939    0.7845    1.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    0.4509    1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122    1.9118    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929    0.3824    1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4693    0.4879    0.7073 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