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
    3.7554    0.5230    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425   -0.4762   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -0.3911   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295   -1.4603   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457   -1.4400   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2474   -0.3426   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5133    0.7131    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.6936    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -0.3064   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057   -1.2469   -0.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    0.8986    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.4788    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3836    1.4525    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666   -1.3484   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951   -2.3192   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -2.2812   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.5752    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    1.5514    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    1.0586    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4797    0.8957   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    1.7717   -0.2727 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