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
   -3.9306   -0.1221    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536   -0.7853    0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168   -0.3533    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289   -1.1343    0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.7398    0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1155    0.4134   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465    1.1608   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    0.7975   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.7860   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.8535   -1.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    0.0125    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9519    0.8051   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9422   -0.4734    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -1.7048    1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038   -2.0429    1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732   -1.3831    0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    2.0661   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0918    1.4235   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -0.4452    1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273   -0.7942   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676    0.6600    0.0608 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