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
    3.8799   -0.4792   -0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    0.2603    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    0.1034   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298    0.9099    0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394    0.7751    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951   -0.1824   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219   -0.9791   -0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -0.8364   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475   -0.3406   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713   -1.2324   -1.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    0.5056    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476   -1.2732   -1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678   -0.3241   -0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    1.0269    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    1.6818    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478    1.4270    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767   -1.7319   -1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6739   -1.4867   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962    0.8519    1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5366   -0.0878    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9013    1.4117   -0.2220 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