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
    1.6921   -0.5668   -3.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084   -0.0627   -2.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    0.0377   -1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037    0.5820   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817    0.6887    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    0.2568    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9148   -0.2830   -0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748   -0.3827   -1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974    0.3652    2.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8591    0.8531    3.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.0942    1.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -0.9203   -3.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832   -0.6246   -4.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.2951   -2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    0.9032   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904    1.1135    1.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -0.6319   -0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5253   -0.8238   -2.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3237    0.6198    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7318   -1.1066    1.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994   -0.2184    3.0220 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