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
    3.6053    1.3232   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492    0.1462   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225   -0.0779   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6967    0.9368   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671    0.6964    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394   -0.5899    0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050   -1.6025    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378   -1.3857   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575   -0.8561    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -2.0433    0.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5544    0.2288    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    2.2499   -0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    1.3849   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043   -0.7169   -0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623    1.9548   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239    1.5526    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.6126    0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -2.2249   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900    0.5210   -0.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4539   -0.0410    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509    1.1561    0.9562 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