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
    3.6841    0.7857   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -0.0077    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058   -0.0971    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.6238   -0.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5781    0.4740   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1929   -0.3805    0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692   -1.1183    1.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970   -0.9687    1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393   -0.5002    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -1.2722    1.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4599    0.3117   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1873    1.4065   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    0.8234   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324   -0.6074    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    1.3091   -1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027    1.0533   -1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511   -1.7839    1.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168   -1.5553    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198    1.3700   -0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -0.1254   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5467    0.2593   -0.2781 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